SCHEMBL127587

SCHEMBL127587

[CH2]c1cccc(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.59
HPGD P15428 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA6 P23280 1/20 0.58
CA9 Q16790 1/20 0.58
KMO O15229 1/20 0.54
TP53 P04637 1/20 0.53
DAO P14920 1/20 0.52
TSHR P16473 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
UNG P13051 1/20 0.52
FOLH1 Q04609 1/20 0.50
AKR1C3 P42330 1/20 0.50
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
KDM4E B2RXH2 2/20 0.46

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 SCHEMBL27346952 0.98 HSD17B10 (0.57) HSD17B10HPGDCYP1A2CYP2C9CA12
Isophthalic Acid SCHEMBL28397170 0.82 CA12 (0.65) HSD17B10HPGDCYP1A2CYP2C9CA12
Isophthalic Acid SCHEMBL209121 0.82 CA12 (0.65) HSD17B10HPGDCYP1A2CYP2C9CA12
Isophthalic Acid SCHEMBL102783 0.82 CA12 (0.65) HSD17B10HPGDCYP1A2CYP2C9CA12
SCHEMBL965605 0.82 ATM (0.71) HSD17B10HPGDCA1CA2KDM4E
Isophthalic Acid SCHEMBL2512374 0.82 CA12 (0.71) HSD17B10HPGDCYP1A2CYP2C9CA12
Isophthalic Acid SCHEMBL28462260 0.82 CA12 (0.71) HSD17B10HPGDCYP1A2CYP2C9CA12
Isophthalic Acid SCHEMBL20500514 0.82 CA12 (0.71) HSD17B10HPGDCYP1A2CYP2C9CA12
Isophthalic Acid SCHEMBL22462 0.82 CA12 (0.71) HSD17B10HPGDCYP1A2CYP2C9CA12
Isophthalic Acid SCHEMBL28756611 0.82 CA12 (0.71) HSD17B10HPGDCYP1A2CYP2C9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218022-A1 ANTI-VISTA MACROCYCLIC PEPTIDES AND COMPOSITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-04 US claimed
US-20230192657-A1 1,2,4-TRIAZOLINONE CB1 INHIBITORS GFB (ABC), LLC 2023-06-22 US claimed
US-20230122243-A1 Heteroaromatic inhibitors of astacin proteinases VIVORYON THERAPEUTICS N.V. (DE) 2023-04-20 US claimed
EP-4114838-A1 1,2,4-TRIAZOLINONE CB1 INHIBITORS Goldfinch Bio, Inc. (US) 2023-01-11 EP claimed
CN-114585608-A Heteroaromatic inhibitors of astacin protease 维沃永治疗公众有限公司 2022-06-03 CN claimed
EP-3986868-A1 HETEROAROMATIC INHIBITORS OF ASTACIN PROTEINASES Vivoryon Therapeutics N.V. (DE) 2022-04-27 EP claimed
CN-109195947-B Novel inhibitors of hypnotic proteins alpha and beta 维沃里翁治疗股份有限公司 2022-03-04 CN claimed
EP-3445744-B1 NOVEL INHIBITORS OF MEPRIN ALPHA AND BETA VIVORYON THERAPEUTICS AG (DE) 2021-10-06 EP claimed
US-20210277014-A1 (S)-3-(2-(4-(BENZYL)-3-OXOPIPERAZIN-1-YL)ACETAMIDO)-4-OXO-5-(2,3,5,6-TETRAFLUOROPHENOXY)PENTANOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS CASPASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES HISTOGEN, INC. 2021-09-09 US claimed
EP-3814327-A1 (S)-3-(2-(4-(BENZYL)-3-OXOPIPERAZIN-1-YL)ACETAMIDO)-4-OXO-5-(2,3,5,6-TETRAFLUOROPHENOXY)PENTANOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS CASPASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES Histogen, Inc. (US) 2021-05-05 EP claimed
EP-0607334-A1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS. DU PONT MERCK PHARMA (US) 1994-07-27 EP claimed
EP-0378604-B1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES ERBA CARLO SPA (IT) 1994-03-02 EP claimed
WO-1993007128-A1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-04-15 WO claimed
US-5157039-A Lipoxygenase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-10-20 US claimed
EP-0505413-A1 BETA-LACTAM DERIVATIVES. ERBA FARMITALIA (IT) 1992-09-30 EP claimed
WO-1991009036-A1 BETA-LACTAM DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1991-06-27 WO claimed
EP-0378604-A1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES. ERBA CARLO SPA (IT) 1990-07-25 EP claimed
WO-1989010926-A1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1989-11-16 WO claimed
EP-0006784-B1 DERIVATIVES OF L-CYSTEINE, THEIR USE AS MEDICAMENTS AND PROCESS FOR THEIR PREPARATION SANOFI S.A. (FR) 1982-05-19 EP claimed
US-3933800-A O-SUBSTITUTED OXIMES, MICROBIOCIDES GRUPPO LEPETIT S.P.A. (IT) 1976-01-20 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20230122243-A1 Heteroaromatic inhibitors of astacin proteinases BMP1, DPEP1, MEP1A HSD17B10 2223/4885HPGD 934/4885CYP1A2 1681/4885
US-20210277014-A1 (S)-3-(2-(4-(BENZYL)-3-OXOPIPERAZIN-1-YL)ACETAMIDO)-4-OXO-5-(2,3,5,6-TETRAFLUOROPHENOXY)PENTANOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS CASPASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES CASP1, CASP3, CASP6 HSD17B10 1178/4885HPGD 3347/4885CYP1A2 742/4885
US-20240218022-A1 ANTI-VISTA MACROCYCLIC PEPTIDES AND COMPOSITIONS VIP, SGTA, NGLY1 HSD17B10 4725/4885HPGD 4483/4885CYP1A2 4729/4885
US-20230192657-A1 1,2,4-TRIAZOLINONE CB1 INHIBITORS CNR1, GPR119, CNR2 HSD17B10 722/4885HPGD 1230/4885CYP1A2 2505/4885

“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.