SCHEMBL657504

SCHEMBL657504

Nc1cc(C(F)(F)F)ccc1S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 3/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CFTR P13569 1/20 0.46
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
KIF11 P52732 3/20 0.43
BACE1 P56817 1/20 0.42

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
SCHEMBL29697575 1.00 ALDH1A1 (0.52) ALDH1A1KDM4EPKMHPGDHSD17B10
Hydrochloric Acid SCHEMBL29892011 0.98 ALDH1A1 (0.50) ALDH1A1KDM4EPKMHPGDHSD17B10
Hydrochloric Acid SCHEMBL444567 0.98 ALDH1A1 (0.50) ALDH1A1KDM4EPKMHPGDHSD17B10
Hydrochloric Acid SCHEMBL23411125 0.96 ALDH1A1 (0.48) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL6759328 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL29464084 0.86 ESR1 (0.41) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL295863 0.86 ESR1 (0.41) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL16593687 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL25211449 0.81 ALDH1A1 (0.37) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL2788945 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EPKMHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4723010-A Process for preparing chloromethyl thiazoles or oxazoles, and intermediates for use therein PFIZER INC. (US) 1988-02-02 US claimed
JP-3044383-A None JP disclosed
CN-121824374-A Preparation method and application of 2-amino-4-trifluoromethylthiophenol 山东达因海洋生物制药股份有限公司 2026-04-10 CN disclosed
CN-121824374-A Preparation method and application of 2-amino-4-trifluoromethylthiophenol 山东达因海洋生物制药股份有限公司 2026-04-10 CN disclosed
WO-2025125829-A1 NORA INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2025-06-19 WO disclosed
US-20250129063-A1 BENZOTHIAZOLE COMPOUNDS AS VHL LIGANDS GENENTECH, INC. (US) 2025-04-24 US disclosed
WO-2025071094-A1 USES OF MERCAPTO FUNCTIONAL COMPOUND HAVING TYROSINASE INHIBITORY ACTIVITY 부산대학교 산학협력단 2025-04-03 WO disclosed
US-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2024-08-08 US disclosed
CN-118084897-A Iron ion detection reagent and preparation method and application thereof 河南省氟基新材料科技有限公司 2024-05-28 CN disclosed
CN-117715907-A 10-substituted-1-azaphenothiazine derivative and application thereof 华东理工大学 2024-03-15 CN disclosed
EP-0295051-B1 PREPARATION OF OXOPHTHALAZINYL ACETIC ACIDS HAVING BENZOTHIAZOLE OR OTHER HETEROCYCLIC SIDE CHAINS PFIZER INC. (US) 1993-06-09 EP disclosed
WO-1992019277-A1 ANTIVIRAL DIBENZOTHIAZEPINONE DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1992-11-12 WO disclosed
WO-1992019607-A1 DIBENZOTHIAZEPINTHIONE AS ANTIVIRAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1992-11-12 WO disclosed
WO-1992012161-A1 NOVEL PYRIMIDO-BENZOTHIAZINES PFIZER INC. (US) 1992-07-23 WO disclosed
EP-0222576-B1 HETEROCYCLIC OXOPHTHALAZINYL ACETIC ACIDS PFIZER INC. (US) 1992-03-18 EP disclosed
JP-H0344383-A PRODUCTION OF 5-TRIFLUOROMETHYL-2-HALOMETHYLBENZOTHIAZOLES IHARA CHEM IND CO LTD 1991-02-26 JP disclosed
US-4748280-A Certain chlorination process for preparing 2-chloro-1,1,1-(C1 -C6) PFIZER INC. (US) 1988-05-31 US disclosed
US-4723010-A Process for preparing chloromethyl thiazoles or oxazoles, and intermediates for use therein PFIZER INC. (US) 1988-02-02 US disclosed
EP-0222576-A2 Heterocyclic oxophthalazinyl acetic acids PFIZER INC. (US) 1987-05-20 EP disclosed
US-3984405-A PYRIDO(3,2-B)(1,4)OXAZIN-3(4H)-ONES E. R. SQUIBB & SONS, INC. (US) 1976-10-05 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 (2 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-20250129063-A1 BENZOTHIAZOLE COMPOUNDS AS VHL LIGANDS VHL, BRCA1, GLS ALDH1A1 2210/4885KDM4E 1366/4885PKM 1044/4885
US-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 ALDH1A1 1938/4885KDM4E 3762/4885PKM 1040/4885

“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.