SCHEMBL3908449

SCHEMBL3908449

CC(C)c1ccc(C(=O)O)cc1C#N

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.51
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
GRM1 Q13255 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
XDH P47989 2/20 0.41
RXRA P19793 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
SCHEMBL30211966 1.00 ACE2 (0.51) ACE2ALDH1A1HPGDGRM1MEN1
SCHEMBL26458007 0.86 CYP2A6 (0.40) ACE2ALDH1A1HPGDMEN1KMT2A
SCHEMBL17014697 0.86 ALDH1A1 (0.48) ACE2ALDH1A1HPGDGRM1MEN1
SCHEMBL7978961 0.85 GLRA1 (0.38) ACE2ALDH1A1HPGD
SCHEMBL9636754 0.83 ALDH1A1 (0.43) ACE2ALDH1A1HPGDGRM1MEN1
SCHEMBL27974667 0.83 ACE2 (0.51) ACE2GRM1MEN1CYP1A2KMT2A
SCHEMBL29974769 0.83 ALDH1A1 (0.44) ACE2ALDH1A1HPGDGRM1MEN1
SCHEMBL22747128 0.83 ALDH1A1 (0.44) ACE2ALDH1A1HPGDGRM1MEN1
SCHEMBL16954103 0.82 SLC22A12 (0.34) ACE2ALDH1A1HPGD
SCHEMBL3902854 0.82 CA1 (0.45) ALDH1A1HPGDMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115697485-B Benzylamine derivatives as DDR inhibitors 奇斯药制品公司 2025-03-14 CN disclosed
US-20230227447-A1 BENZYLAMINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-07-20 US disclosed
EP-4157447-A1 BENZYLAMINE DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-04-05 EP disclosed
CN-115697485-A Benzylamine derivatives as DDR inhibitors 奇斯药制品公司 2023-02-03 CN disclosed
CN-109661391-B S1P1 agonist and application thereof 南京明德新药研发有限公司 2022-04-19 CN disclosed
CN-109071469-B Tricyclic compound and application thereof 南京明德新药研发有限公司 2022-04-05 CN disclosed
US-11192886-B2 S1P1 agonist and application thereof MEDSHINE DISCOVERY INC. (CN) 2021-12-07 US disclosed
WO-2021239643-A1 BENZYLAMINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-12-02 WO disclosed
US-20210300908-A1 S1P1 AGONIST AND APPLICATION THEREOF Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2021-09-30 US disclosed
EP-3492465-B1 S1P1 AGONIST AND APPLICATION THEREOF SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) 2021-03-24 EP disclosed
US-6245778-B1 1,6-naphthyridine anti-convulsants SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-12 US disclosed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP disclosed
WO-2001002366-A2 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS INTICONVULSANTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-01-11 WO disclosed
EP-0986559-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-03-22 EP disclosed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO disclosed
EP-0971897-A1 ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-01-19 EP disclosed
EP-0968190-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-01-05 EP disclosed
WO-1998054184-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-12-03 WO disclosed
WO-1998041507-A1 ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1998-09-24 WO disclosed
WO-1998041508-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-09-24 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 (3 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-11192886-B2 S1P1 agonist and application thereof S1PR1, S1PR2, S1PR3 ACE2 2202/4885ALDH1A1 2418/4885HPGD 3791/4885
US-20230227447-A1 BENZYLAMINE DERIVATIVES AS DDRS INHIBITORS DDR2, DDR1, DDRGK1 ACE2 1370/4885ALDH1A1 2102/4885HPGD 3240/4885
US-20210300908-A1 S1P1 AGONIST AND APPLICATION THEREOF S1PR1, S1PR2, S1PR3 ACE2 2202/4885ALDH1A1 2418/4885HPGD 3791/4885

“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.