SCHEMBL460892

SCHEMBL460892

CC(C)(C)c1cc(N)ccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.57
▸ ALDH1A1 P00352 5/20 0.57
▸ MAPT P10636 5/20 0.57
▸ CYP3A4 P08684 3/20 0.57
▸ GAA P10253 2/20 0.57
▸ ESR2 Q92731 1/20 0.57
▸ PTPN1 P18031 1/20 0.57
▸ TDP1 Q9NUW8 6/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ THRB P10828 2/20 0.52
▸ RECQL P46063 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ POLB P06746 2/20 0.52
▸ MCL1 Q07820 2/20 0.52
▸ KDR P35968 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ APEX1 P27695 1/20 0.52

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
SCHEMBL7753630 0.86 NR1H4 (0.43) KDM4EALDH1A1MAPTCYP3A4GAA
SCHEMBL25584212 0.86 KDM4E (0.55) KDM4EALDH1A1MAPTCYP3A4GAA
SCHEMBL29451106 0.80 ALDH1A1 (0.57) KDM4EALDH1A1MAPTCYP3A4GAA
SCHEMBL696299 0.80 ALDH1A1 (0.57) KDM4EALDH1A1MAPTCYP3A4GAA
SCHEMBL28246644 0.79 GAA (0.46) KDM4EALDH1A1MAPTCYP3A4GAA
SCHEMBL7761954 0.78 ALDH1A1 (0.55) KDM4EALDH1A1MAPTCYP3A4GAA
SCHEMBL9358883 0.78 KDM4E (0.50) KDM4EALDH1A1MAPTCYP3A4GAA
SCHEMBL29654078 0.78 ALDH1A1 (0.57) ALDH1A1MAPTESR2PTPN1TDP1
SCHEMBL1355541 0.78 TDP1 (0.54) KDM4EMAPTGAAPTPN1TDP1
SCHEMBL4631399 0.78 TDP1 (0.59) KDM4EALDH1A1TDP1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025100889-A1 QUINAZOLINE DERIVATIVE, SALT THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2025-05-15 — — WO disclosed
US-12297207-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2025-05-13 — — US disclosed
WO-2025046090-A1 METHODS OF PREPARING PHOSPHONAMIDATE COMPOUNDS TUBULIS GMBH (DE) 2025-03-06 — — WO disclosed
EP-2956437-B1 ALBICIDIN DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS UNIV BERLIN TECH (DE) 2023-05-10 — — EP disclosed
CN-114206854-B FXIa inhibitor and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-02-24 — — CN disclosed
US-20220259225-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use REGENERON PHARMACEUTICALS, INC. 2022-08-18 — — US disclosed
CN-114206854-A FXIa inhibitor and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-03-18 — — CN disclosed
US-20220040317-A1 DEGRADATION OF FAK OR FAK AND ALK BY CONJUGATION OF FAK AND ALK INHIBITORS WITH E3 LIGASE LIGANDS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-10 — — US disclosed
US-20210371379-A1 NOVEL SALT OF 4-({(4S)-1-(4-CARBAMIMIDOYLBENZOYL)-4-[4(METHYLSULFONYL)PIPERAZIN-1-YL]-L-PROLYL}AMINO) BENZOIC ACID AND NOVEL CRYSTAL FORM THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2021-12-02 — — US disclosed
EP-3854783-A1 NOVEL SALT OF 4-(\\{(4S)-1-(4-CARBAMIMIDOYLBENZOYL)-4-[4-(METHYLSULFONYL)PIPERAZIN-1-YL]-L-PROLYL\\}AMINO)BENZOIC ACID, AND AND NOVEL CRYSTAL FORM OF SAID SALT ONO Pharmaceutical Co., Ltd. (JP) 2021-07-28 — — EP disclosed
WO-1999043636-A2 DISUBSTITUTED LAVENDUSTIN A ANALOGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE ANALOGS THE UNITED STATES OF AMERICA AS REPRESENTED BY THESECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-09-02 — — WO disclosed
US-5834468-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, ANALGESICS TREATING RHEUMATIC DISEASE, BONE DISORDER, INJURIES ZENECA LIMITED (GB) 1998-11-10 — — US disclosed
EP-0752421-A1 Ortho-substituted aromatic compounds, containing three (het)aryl moieties, their preparation and their use as prostaglandin E2-(PGE2)-antagonists ZENECA LIMITED (GB) 1997-01-08 — — EP disclosed
US-5395838-A Aromatic aminomethyl substitutes compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-03-07 — — US disclosed
US-5110723-A Assay for microorganisms; no surfactant necessary EASTMAN KODAK COMPANY (US) 1992-05-05 — — US disclosed
US-5089499-A Anticarcinogenic agents; thymidylate synthetase inhibitors; antiallergens; psoriasis IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-18 — — US disclosed
US-5037762-A Determination Of Enzymes, Metabolites Or Living Cells With Quinone Derivatives EASTMAN KODAK COMPANY (US) 1991-08-06 — — US disclosed
US-4983597-A N-sulfonyl-2-azetidinone derivatives MERCK & CO., INC. (US) 1991-01-08 — — US disclosed
US-4853186-A Water-compatible reducible compounds and their use in analytical compositions and methods EASTMAN KODAK COMPANY (US) 1989-08-01 — — US disclosed
US-4797357-A FLUORESCENT DYES FOR MICROORGANISM DETECTION EASTMAN KODAK COMPANY (US) 1989-01-10 — — 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 (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-20210371379-A1 NOVEL SALT OF 4-({(4S)-1-(4-CARBAMIMIDOYLBENZOYL)-4-[4(METHYLSULFONYL)PIPERAZIN-1-YL]-L-PROLYL}AMINO) BENZOIC ACID AND NOVEL CRYSTAL FORM THEREOF CLIC4, SBDS, SLC7A1 KDM4E 35/4885ALDH1A1 1881/4885MAPT 627/4885
US-12297207-B2 Maytansinoid derivatives, conjugates thereof, and methods of use SLC10A1, HNMT, OGFR KDM4E 4593/4885ALDH1A1 317/4885MAPT 3597/4885
US-20220040317-A1 DEGRADATION OF FAK OR FAK AND ALK BY CONJUGATION OF FAK AND ALK INHIBITORS WITH E3 LIGASE LIGANDS AND METHODS OF USE ALK, PTK2, CBL KDM4E 1408/4885ALDH1A1 1843/4885MAPT 1807/4885
US-20220259225-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use SLC10A1, HNMT, OGFR KDM4E 4593/4885ALDH1A1 317/4885MAPT 3597/4885

“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.

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