SCHEMBL3286704

SCHEMBL3286704

O=S(=O)(ON1CC1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARL Q9H300 3/20 0.60
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 2/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.44
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR6 P50406 1/20 0.42
POLB P06746 1/20 0.41
VDR P11473 1/20 0.41

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
SCHEMBL1493760 0.92 PARL (0.56) PARLALDH1A1KMT2AKDM4EMAPT
SCHEMBL3747944 0.90 L3MBTL1 (0.57) PARLALDH1A1KMT2AKDM4EMAPT
SCHEMBL9517665 0.87 TSHR (0.51) PARLALDH1A1KMT2AKDM4EMAPT
SCHEMBL1589535 0.87 PARL (0.51) PARLALDH1A1KMT2AKDM4EMAPT
SCHEMBL11129543 0.79 TSHR (0.48) PARLALDH1A1KMT2ATDP1MEN1
SCHEMBL5185491 0.79 VDR (0.54) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL219187 0.79 PARL (0.51) PARLALDH1A1KMT2AKDM4EMAPT
SCHEMBL29139490 0.77 PARL (0.54) PARLALDH1A1KMT2AKDM4EMAPT
SCHEMBL64964 0.75 PARL (1.00) PARLALDH1A1KMT2AKDM4EMAPT
SCHEMBL9517745 0.75 ALDH1A1 (0.49) PARLALDH1A1KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714000-B2 Substituted pyrrolidinones and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-7615549-B2 Substituted pyrrolidinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 US disclosed
US-20060217435-A1 New Substituted Pyrrolidinones and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-09-28 US disclosed
US-20060142263-A1 NEW SUBSTITUTED PYRROLIDINONES, THEIR MANUFACTURE AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 US disclosed
EP-1261327-A2 ADENOSINE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
WO-2002076984-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-03 WO disclosed
WO-2001062233-A2 ADENOSINE RECEPTOR MODULATORS F. HOFFMANN LA ROCHE AG (CH) 2001-08-30 WO disclosed
EP-1080092-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2001-03-07 EP disclosed
WO-1999061444-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-02 WO disclosed
EP-0618207-B1 Substituted pyridopyrimidines as antihypertensives AMERICAN HOME PROD (US) 1999-01-07 EP disclosed
US-5654488-A WITTIG REACTION OF 3-METHYL-5-(2,6,6-TRIMETHYL-3-OXO-4-HYDROXY-1-CYCLOHEXENYL)-2 ,4-PENTADIENYLTRIARYLPHOSPHONIUM SALT WITH 2,7-DIMETHYL-2,4,6-OCTATRIENEDIOL BASF AKTIENGESELLSCHAFT (DE) 1997-08-05 US disclosed
US-5597931-A Total synthesis of taxol and analogues thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1997-01-28 US disclosed
WO-1996034862-A1 TOTAL SYNTHESIS OF TAXOL AND ANALOGUES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1996-11-07 WO disclosed
US-5527924-A ANTICARCINOGENIC AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1996-06-18 US disclosed
US-5488116-A Total synthesis of taxol and analogues thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1996-01-30 US disclosed
US-5466692-A Substituted pyridopyrimidines and antihypertensives AMERICAN HOME PRODUCTS CORPORATION (US) 1995-11-14 US disclosed
US-5416225-A Chemical intermediates SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1995-05-16 US disclosed
WO-1995012567-A1 TOTAL SYNTHESIS OF TAXOL AND ANALOGUES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1995-05-11 WO disclosed
EP-0618207-A1 Substituted pyridopyrimidines as antihypertensives AMERICAN HOME PRODUCTS CORPORATION (US) 1994-10-05 EP disclosed
WO-1993020036-A1 TOTAL SYNTHESIS OF TAXOL SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-10-14 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 (2 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-20060217435-A1 New Substituted Pyrrolidinones and Their Use as Medicaments PYCR1, S100A9, REV1 PARL 3866/4885ALDH1A1 1594/4885KMT2A 4154/4885
US-20060142263-A1 NEW SUBSTITUTED PYRROLIDINONES, THEIR MANUFACTURE AND THEIR USE AS MEDICAMENTS PYCR1, OAT, UROD PARL 4112/4885ALDH1A1 1882/4885KMT2A 3598/4885

“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.