SCHEMBL2074920

SCHEMBL2074920

Cc1ccc(S(=O)(=O)O)cc1CCCS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.38
HSD17B10 Q99714 4/20 0.38
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.35
NT5E P21589 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
SNCA P37840 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CASP6 P55212 1/20 0.34
LMNA P02545 3/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
S1PR3 Q99500 1/20 0.33
CYP3A4 P08684 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL10598218 0.89 SNCA (0.39) ALDH1A1HSD17B10HTTTSHRNT5E
SCHEMBL10596213 0.85 ALDH1A1 (0.41) ALDH1A1HSD17B10HTTTSHRNT5E
SCHEMBL28542745 0.84 CA2 (0.45) ALDH1A1HSD17B10HTTTDP1KDM4E
SCHEMBL4620923 0.84 S1PR3 (0.43) ALDH1A1HSD17B10HTTKDM4EHPGD
SCHEMBL600326 0.83 TAAR1 (0.36) ALDH1A1HSD17B10HTTTSHRNT5E
Ammonia Solution, Strong SCHEMBL28286823 0.83 S1PR3 (0.42) ALDH1A1HSD17B10HTTKDM4EHPGD
SCHEMBL16028578 0.83 CA2 (0.42) ALDH1A1HSD17B10HTTTDP1KDM4E
SCHEMBL10652394 0.83 S1PR3 (0.45) ALDH1A1HTTTSHRTDP1KDM4E
SCHEMBL6259776 0.83 S1PR3 (0.36) ALDH1A1HSD17B10HTTTSHRNT5E
SCHEMBL8367731 0.81 S1PR3 (0.47) ALDH1A1HTTTSHRTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4051662-B1 SYNTHESIS OF 3-({5-CHLORO-1-[3-(METHYLSULFONYL)PROPYL]-1H-INDOL-2 YL}METHYL)-1-(2,2,2-TRIFLUOROETHYL)-1,3-DIHYDRO-2H-IMIDAZO[4,5-C]PYRIDIN-2-ONE JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2024-02-07 EP disclosed
EP-2894151-B1 IMIDAZOLINE DERIVATIVES, PREPARATION METHODS THEREOF, AND THEIR APPLICATIONS IN MEDICINE Shanghai hengrui pharmaceutical co ltd (CN) 2020-11-11 EP disclosed
EP-3092240-B1 ISOPROPYL TRIAZOLO PYRIDINE COMPOUNDS LILLY CO ELI (US) 2018-12-05 EP disclosed
US-9809592-B2 Isopropyl triazolo pyridine compounds ELI LILLY AND COMPANY (US) 2017-11-07 US disclosed
US-9586947-B2 Imidazoline derivatives, preparation methods thereof, and their applications in medicine SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-03-07 US disclosed
US-20160333005-A1 ISOPROPYL TRIAZOLO PYRIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2016-11-17 US disclosed
CN-105246875-A Indane derivative, preparation method therefor, and pharmaceutical application thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2016-01-13 CN disclosed
US-20150225381-A1 IMIDAZOLINE DERIVATIVES, PREPARATION METHODS THEREOF, AND THEIR APPLICATIONS IN MEDICINE JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2015-08-13 US disclosed
EP-2894151-A1 IMIDAZOLINE DERIVATIVES, PREPARATION METHODS THEREOF, AND THEIR APPLICATIONS IN MEDICINE Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2015-07-15 EP disclosed
WO-2015032328-A1 INDANE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 四川海思科制药有限公司 (CN) 2015-03-12 WO disclosed
EP-2470546-B1 HEXAHYDROOXAZINOPTERIDINE COMPOUNDS FOR USE AS MTOR INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-07-24 EP disclosed
US-8268819-B2 Hexahydrooxazinopterine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-18 US disclosed
US-20120178924-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-12 US disclosed
EP-2470546-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS FOR USE AS mTOR INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-07-04 EP disclosed
US-8163755-B2 Hexahydrooxazinopterine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
WO-2011025889-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS FOR USE AS mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-03 WO disclosed
US-20110053921-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-03 US disclosed
US-20100197761-A1 Fused cyclic compounds YASUMA TSUNEO 2010-08-05 US disclosed
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 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 (5 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-20160333005-A1 ISOPROPYL TRIAZOLO PYRIDINE COMPOUNDS INSR, INSRR, GPR119 ALDH1A1 2406/4885HSD17B10 1365/4885HTT 3609/4885
US-20120178924-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS HPRT1, HCCS, NUDT1 ALDH1A1 2074/4885HSD17B10 2827/4885HTT 880/4885
US-20110053921-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS MTOR, RICTOR, EIF4EBP1 ALDH1A1 4123/4885HSD17B10 1316/4885HTT 174/4885
US-20150225381-A1 IMIDAZOLINE DERIVATIVES, PREPARATION METHODS THEREOF, AND THEIR APPLICATIONS IN MEDICINE AR, KLK3, NR5A1 ALDH1A1 911/4885HSD17B10 1389/4885HTT 4848/4885
US-20100197761-A1 Fused cyclic compounds GPR119, GLP1R, GPR65 ALDH1A1 3122/4885HSD17B10 520/4885HTT 3209/4885

“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.