SCHEMBL506696

SCHEMBL506696

CCS(=O)(=O)c1ccc(CN)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 1.00
CA2 P00918 6/20 0.61
CA1 P00915 3/20 0.61
CA9 Q16790 3/20 0.61
CA12 O43570 2/20 0.61
CA4 P22748 2/20 0.61
CA6 P23280 1/20 0.61
CA5A P35218 1/20 0.61
CA7 P43166 1/20 0.61
CA14 Q9ULX7 1/20 0.61
CA5B Q9Y2D0 1/20 0.61
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MMP2 P08253 5/20 0.46
MMP9 P14780 5/20 0.46
MMP8 P22894 5/20 0.46
MMP14 P50281 5/20 0.46
HRH3 Q9Y5N1 1/20 0.44

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
Hydrochloric Acid SCHEMBL21491012 0.98 PSIP1 (0.96) PSIP1CA2CA1CA9CA12
Hydrochloric Acid SCHEMBL17711752 0.98 PSIP1 (0.96) PSIP1CA2CA1CA9CA12
SCHEMBL3882769 0.85 PSIP1 (0.74) PSIP1CA2CA1CA9CA12
Trifluoroacetic Acid SCHEMBL5758188 0.84 PSIP1 (0.71) PSIP1CA2CA1CA9CA12
SCHEMBL28284913 0.84 PSIP1 (0.72) PSIP1CA2CA1CA9CA12
Hydrochloric Acid SCHEMBL30075994 0.84 PSIP1 (0.71) PSIP1CA2CA1CA9CA12
SCHEMBL10767902 0.83 PSIP1 (0.70) PSIP1CA2CA1CA9CA12
SCHEMBL10455034 0.83 PSIP1 (0.74) PSIP1CA2GAASMN1; SMN2
SCHEMBL9908320 0.81 PSIP1 (0.68) PSIP1CA2GAAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL22227731 0.81 PSIP1 (0.68) PSIP1CA2CA1CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250332155-A1 SUBSTITUTED TETRAHYDROQUINOLINONE COMPOUNDS AS ROR GAMMA MODULATORS AURIGENE ONCOLOGY LTD (IN) 2025-10-30 US claimed
US-20220125780-A1 SUBSTITUTED TETRAHYDROQUINOLINONE COMPOUNDS AS ROR GAMMA MODULATORS AURIGENE ONCOLOGY LIMITED (IN) 2022-04-28 US claimed
EP-4731622-A1 COMPOUNDS AND COMPOSITIONS AS VHL LIGANDS AND STAT3 DEGRADERS USES THEREOF Regents of the University of Michigan (US) 2026-04-29 EP disclosed
US-20260108613-A1 Compounds and Compositions as VHL Ligands and STAT3 Degraders Uses Thereof UNIV MICHIGAN (US) 2026-04-23 US disclosed
US-20250332155-A1 SUBSTITUTED TETRAHYDROQUINOLINONE COMPOUNDS AS ROR GAMMA MODULATORS AURIGENE ONCOLOGY LTD (IN) 2025-10-30 US disclosed
US-12377088-B2 Substituted tetrahydroquinolinone compounds as ROR gamma modulators AURIGENE ONCOLOGY LIMITED (IN) 2025-08-05 US disclosed
US-20250195484-A1 CEREBLON LIGANDS AND USES THEREOF UNIV MICHIGAN (US) 2025-06-19 US disclosed
CN-113072546-B Five-membered heteroaromatic derivative and preparation method and application thereof 广东东阳光药业股份有限公司 2025-05-30 CN disclosed
US-20250114376-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF AVALYN PHARMA INC. 2025-04-10 US disclosed
US-12226407-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof AVALYN PHARMA INC. (US) 2025-02-18 US disclosed
EP-4491180-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF Avalyn Pharma Inc. (US) 2025-01-15 EP disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
EP-1562902-A1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE AstraZeneca AB (SE) 2005-08-17 EP disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
US-20050148624-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-07 US disclosed
EP-1484320-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2004-12-08 EP disclosed
WO-2004043924-A1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2004-05-27 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 (10 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-20050148624-A1 Jnk inhibitor MAPK3, MAPKAPK3, MAPK1 PSIP1 3712/4885CA2 4144/4885CA1 3996/4885
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 PSIP1 3509/4885CA2 4526/4885CA1 4237/4885
US-12377088-B2 Substituted tetrahydroquinolinone compounds as ROR gamma modulators RORC, RORA, RORB PSIP1 3334/4885CA2 4024/4885CA1 3816/4885
US-20260108613-A1 Compounds and Compositions as VHL Ligands and STAT3 Degraders Uses Thereof VHL, NCOR1, NCOR2 PSIP1 3839/4885CA2 1316/4885CA1 2036/4885
US-20250195484-A1 CEREBLON LIGANDS AND USES THEREOF CRBN, CDR2, CHLSN PSIP1 2696/4885CA2 1570/4885CA1 483/4885
US-20250332155-A1 SUBSTITUTED TETRAHYDROQUINOLINONE COMPOUNDS AS ROR GAMMA MODULATORS RORC, RORA, RORB PSIP1 3334/4885CA2 4024/4885CA1 3816/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 PSIP1 1092/4885CA2 3491/4885CA1 4127/4885
US-20250114376-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK PSIP1 725/4885CA2 4485/4885CA1 4780/4885
US-20220125780-A1 SUBSTITUTED TETRAHYDROQUINOLINONE COMPOUNDS AS ROR GAMMA MODULATORS RORC, RORA, RORB PSIP1 3334/4885CA2 4024/4885CA1 3816/4885
US-12226407-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK PSIP1 725/4885CA2 4485/4885CA1 4780/4885

“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.