SCHEMBL872212

SCHEMBL872212

COc1ccc(-c2ccc(S(=O)(=O)Nc3ccc(C[C@H](N)C(=O)O)cc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
LIMK2 P53671 1/20 0.53
PLAU P00749 3/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
TPH1 P17752 2/20 0.53
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
PGR P06401 1/20 0.52
MMP9 P14780 2/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19234476 0.96 PKM (0.57) PKMLIMK2HDAC3HDAC4HDAC1
SCHEMBL5608174 0.96 PKM (0.57) PKMLIMK2HDAC3HDAC4HDAC1
SCHEMBL27755058 0.96 PKM (0.57) PKMLIMK2HDAC3HDAC4HDAC1
SCHEMBL5607322 0.87 UQCRB (0.58) PKMHDAC3HDAC4HDAC1HDAC7
SCHEMBL5607316 0.87 UQCRB (0.58) PKMHDAC3HDAC4HDAC1HDAC7
SCHEMBL870402 0.86 TSHR (0.63) TPH1LMNAMMP9MMP1MMP2
SCHEMBL8234816 0.84 PKM (0.54) PKMLIMK2HDAC3HDAC4HDAC1
SCHEMBL6168594 0.84 TPH1 (0.68) PKMTPH1
SCHEMBL5607294 0.83 PGR (0.60) PKMHDAC3HDAC4HDAC1HDAC7
SCHEMBL27754740 0.83 PGR (0.60) PKMHDAC3HDAC4HDAC1HDAC7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009522265-A 2009-06-11 JP claimed
US-20090054308-A1 Methods and Compositions for Treating Pulmonary Hypertension and Related Diseases and Disorders TERSERA THERAPEUTICS LLC 2009-02-26 US claimed
EP-1984344-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-10-29 EP claimed
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use TERSERA THERAPEUTICS LLC 2007-08-16 US claimed
WO-2007089335-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE LEXICON PHARMACEUTICAL INC. (US) 2007-08-09 WO claimed
EP-2386547-B1 Multicyclic amino acid derivatives and methods of their use LEXICON PHARMACEUTICALS INC (US) 2018-06-20 EP disclosed
US-9717727-B2 Methods of treating and preventing leukemia and other cancers of the blood and bone THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-01 US disclosed
US-9150521-B2 Methods of preventing and treating diabetes by inhibiting serotonin synthesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-10-06 US disclosed
US-20150111908-A1 METHODS OF DIAGNOSING, PREVENTING, AND TREATING BONE MASS DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-23 US disclosed
US-20140378489-A1 METHODS OF PREVENTING AND TREATING DIABETES BY INHIBITING SEROTONIN SYNTHESIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2014-12-25 US disclosed
US-20140303197-A1 METHODS OF TREATING AND PREVENTING LEUKEMIA AND OTHER CANCERS OF THE BLOOD AND BONE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-10-09 US disclosed
US-8759364-B2 Methods of treating bone mass diseases THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-06-24 US disclosed
EP-1984344-B1 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2012-09-26 EP disclosed
US-20120077831-A1 METHODS AND ASSAYS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME LEXICON PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20110281899-A1 METHODS OF PREVENTING AND TREATING LOW BONE MASS DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-11-17 US disclosed
EP-2386547-A1 Multicyclic amino acid derivatives and methods of their use Lexicon Pharmaceuticals, Inc. (US) 2011-11-16 EP disclosed
US-8039086-B2 Bonding material, process for producing the same, and honeycomb structure made with the same NGK INSULATORS, LTD. (JP) 2011-10-18 US disclosed
US-20110152220-A1 METHODS OF DIAGNOSING, PREVENTING AND TREATING BONE MASS DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-23 US disclosed
US-20110124667-A1 METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME LEXICON PHARMACEUTICALS, INC. 2011-05-26 US disclosed
WO-2011063181-A1 METHODS AND ASSAYS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME LEXICON PHARMACEUTICALS, INC. (US) 2011-05-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150111908-A1 METHODS OF DIAGNOSING, PREVENTING, AND TREATING BONE MASS DISEASES TPH1, HTR1A, TPH2 PKM 2272/4885LIMK2 3257/4885PLAU 811/4885
US-20090054308-A1 Methods and Compositions for Treating Pulmonary Hypertension and Related Diseases and Disorders TPH1, PAH, TPH2 PKM 822/4885LIMK2 3561/4885PLAU 988/4885
US-20140378489-A1 METHODS OF PREVENTING AND TREATING DIABETES BY INHIBITING SEROTONIN SYNTHESIS TPH1, TPH2, HTR1A PKM 1975/4885LIMK2 4186/4885PLAU 748/4885
US-20120077831-A1 METHODS AND ASSAYS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, HNMT, ALPI PKM 2846/4885LIMK2 4572/4885PLAU 462/4885
US-20110281899-A1 METHODS OF PREVENTING AND TREATING LOW BONE MASS DISEASES TPH1, HTR1A, TPH2 PKM 1664/4885LIMK2 2185/4885PLAU 703/4885
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use AADAT, HNMT, TPH1 PKM 802/4885LIMK2 4533/4885PLAU 3242/4885
US-20110124667-A1 METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, HNMT, SLC10A2 PKM 2405/4885LIMK2 4193/4885PLAU 334/4885
US-20140303197-A1 METHODS OF TREATING AND PREVENTING LEUKEMIA AND OTHER CANCERS OF THE BLOOD AND BONE TPH1, TPH2, HNMT PKM 2959/4885LIMK2 2690/4885PLAU 1177/4885
US-20110152220-A1 METHODS OF DIAGNOSING, PREVENTING AND TREATING BONE MASS DISEASES TPH1, HTR1A, TPH2 PKM 2180/4885LIMK2 3489/4885PLAU 681/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.