SCHEMBL1767654

SCHEMBL1767654

COC(NC(=O)C(Cl)(Cl)Cl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
RIPK1 Q13546 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL14675504 0.80 KMT2A (0.52) KMT2ALMNATSHRALDH1A1HPGD
SCHEMBL8704293 0.79 KMT2A (0.50) KMT2ATSHRALDH1A1CYP1A2CYP2C19
SCHEMBL15514630 0.79 KMT2A (0.50) KMT2ALMNATSHRALDH1A1MEN1
SCHEMBL6254665 0.77 LMNA (0.53) KMT2ALMNATSHRALDH1A1MAPK1
SCHEMBL8358267 0.77 HPGDS (0.49) KMT2AHTTLMNATSHRRIPK1
SCHEMBL8698619 0.76 LMNA (0.53) LMNATSHRALDH1A1HPGDMAPT
SCHEMBL11405723 0.75 KMT2A (0.46) KMT2ATSHRALDH1A1MEN1HPGD
SCHEMBL8540917 0.73 LMNA (0.49) KMT2AHTTLMNARIPK1ALDH1A1
SCHEMBL29222241 0.73 TSHR (0.49) KMT2ALMNATSHRALDH1A1MEN1
SCHEMBL8540915 0.73 LMNA (0.49) KMT2AHTTLMNARIPK1ALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426256-A1 METHODS OF TREATING OR REDUCING THE RISK OF CARDIOVASCULAR EVENTS AND RELATED DISEASES USING SGLT-2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-01-16 EP disclosed
EP-3217987-A1 SGLT-2 INHIBITORS FOR TREATING METABOLIC DISORDERS IN PATIENTS WITH RENAL IMPAIRMENT OR CHRONIC KIDNEY DISEASE Merck Sharp & Dohme Corp. (US) 2017-09-20 EP disclosed
WO-2017155841-A1 METHODS OF TREATING OR REDUCING THE RISK OF CARDIOVASCULAR EVENTS AND RELATED DISEASES USING SGLT-2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-14 WO disclosed
WO-2016077126-A1 SGLT-2 INHIBITORS FOR TREATING METABOLIC DISORDERS IN PATIENTS WITH RENAL IMPAIRMENT OR CHRONIC KIDNEY DISEASE MERCK SHARP & DOHME CORP. (US) 2016-05-19 WO disclosed
US-8324406-B2 Antitumoral dihydropyran-2-one compounds PHARMA MAR, S.A. (ES) 2012-12-04 US disclosed
EP-2496583-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES Pfizer Inc. (US) 2012-09-12 EP disclosed
WO-2011051864-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2011-05-05 WO disclosed
US-20100048690-A2 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2010-02-25 US disclosed
US-20090186938-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2009-07-23 US disclosed
EP-2032551-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2009-03-11 EP disclosed
WO-2007144423-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2007-12-21 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-20100048690-A2 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS KMT2A 4182/4885HTT 432/4885LMNA 1728/4885
US-20090186938-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS KMT2A 4182/4885HTT 432/4885LMNA 1728/4885

“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.