SCHEMBL1817556

SCHEMBL1817556

COc1cc(F)ccc1S(=O)(=O)Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.66
KDM4E B2RXH2 3/20 0.47
PKM P14618 2/20 0.47
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.44
USP2 O75604 1/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
ALPL P05186 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.39

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
SCHEMBL30002818 1.00 TRPV4 (0.66) TRPV4KDM4EPKMTSHRSMN1; SMN2
SCHEMBL1127669 0.85 KDM4E (0.59) TRPV4KDM4ETSHRSMN1; SMN2HTT
SCHEMBL27589372 0.81 KDM4E (0.47) TRPV4KDM4EPKMTSHRSMN1; SMN2
SCHEMBL28755848 0.81 TSHR (0.52) KDM4EPKMTSHRSMN1; SMN2HTT
SCHEMBL5406327 0.81 TRPV4 (0.61) TRPV4KDM4ETSHRHTTALDH1A1
SCHEMBL74997 0.79 TRPV4 (0.68) TRPV4ALDH1A1CYP1A2CYP3A4ALPL
SCHEMBL29482639 0.79 TRPV4 (0.68) TRPV4ALDH1A1CYP1A2CYP3A4ALPL
SCHEMBL29420268 0.79 TRPV4 (1.00) TRPV4KDM4ETSHRMEN1ALDH1A1
SCHEMBL2947794 0.79 TRPV4 (1.00) TRPV4KDM4ETSHRMEN1ALDH1A1
SCHEMBL533956 0.79 TRPV4 (0.68) TRPV4KDM4EPKMTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12428376-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2025-09-30 US disclosed
US-20240360083-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2024-10-31 US disclosed
CN-117858879-A CDK2/4/6 inhibitor and preparation method and application thereof 南京再明医药有限公司 2024-04-09 CN disclosed
US-11866411-B2 Therapeutic compounds and compositions Agios Pharmaceutical, Inc. (US) 2024-01-09 US disclosed
US-RE49582-E1 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
EP-3094325-B1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-10-13 EP disclosed
US-20210198206-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2021-07-01 US disclosed
US-10988448-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2021-04-27 US disclosed
EP-3708169-A1 2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY Agios Pharmaceuticals, Inc. (US) 2020-09-16 EP disclosed
EP-3241554-B1 QUINOLINE-8-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY AGIOS PHARMACEUTICALS INC (US) 2020-01-29 EP disclosed
US-20150225422-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-13 US disclosed
US-20150225422-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-13 US disclosed
WO-2015108861-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-23 WO disclosed
US-20140323467-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC (US) 2014-10-30 US disclosed
US-8785450-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
EP-2448582-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Agios Pharmaceuticals, Inc. (US) 2012-05-09 EP disclosed
US-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011060199-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 WO disclosed
WO-2011002817-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2011-01-06 WO disclosed
US-20100331307-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2010-12-30 US 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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD TRPV4 2256/4885KDM4E 2557/4885PKM 4195/4885
US-10988448-B2 Therapeutic compounds and compositions PDK1, PDK2, PDK3 TRPV4 2757/4885KDM4E 766/4885PKM 6/4885
US-20210198206-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 TRPV4 2757/4885KDM4E 766/4885PKM 6/4885
US-12428376-B2 Therapeutic compounds and compositions PDK1, PDK2, PDK3 TRPV4 2757/4885KDM4E 766/4885PKM 6/4885
US-20240360083-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 TRPV4 2757/4885KDM4E 766/4885PKM 6/4885
US-20100331307-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 TRPV4 2757/4885KDM4E 766/4885PKM 6/4885
US-20140323467-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 TRPV4 2757/4885KDM4E 766/4885PKM 6/4885
US-11866411-B2 Therapeutic compounds and compositions PDK1, PDK2, PDK3 TRPV4 2757/4885KDM4E 766/4885PKM 6/4885
US-20150225422-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B TRPV4 2635/4885KDM4E 1579/4885PKM 4460/4885

“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.