SCHEMBL28090

SCHEMBL28090

c1ccc(CC2CCCCS2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
FAAH O00519 1/20 0.42
GBA1 P04062 1/20 0.40
SLC18A3 Q16572 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
HSD11B1 P28845 1/20 0.37
CCR3 P51677 1/20 0.37

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
SCHEMBL8998 0.94 FAAH (0.43) POLBFAAHGBA1NOS3NOS1
SCHEMBL27736936 0.86 FAAH (0.45) POLBFAAHGBA1SLC18A3
SCHEMBL28063722 0.78 TSHR (0.44) POLBFAAH
SCHEMBL7262319 0.76 MAPT (0.38)
SCHEMBL6916462 0.74 GBA1 (0.43) POLBGBA1CCR3
SCHEMBL3090521 0.74 FAAH (0.50) POLBFAAHGBA1NOS3NOS1
SCHEMBL9150 0.73 TMEM97 (0.44) POLBFAAHGBA1
SCHEMBL317332 0.72 TAAR1 (0.38) POLBGBA1CCR3
SCHEMBL6760449 0.72 LMNA (0.41)
SCHEMBL7262222 0.72 ALDH1A1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435957-B1 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMA (US) 2009-06-17 EP claimed
EP-1389194-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-02-18 EP claimed
US-6642228-B1 Treating ocular tension, carcinoma, sarcoma, tumentia, circulatory disease, or hypertension TORAY INDUSTRIES, INC. (JP) 2003-11-04 US claimed
US-20030095958-A1 Inhibitors of bace VERTEX PHARMACEUTICALS INCORPORATED 2003-05-22 US claimed
US-6503926-B2 Nitrogen heterocycle compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-01-07 US claimed
WO-2002088101-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 WO claimed
CN-1327444-A Alpha 1 beta-adrenergic receptor antagonists TORAY INDUSTRIES (JP) 2001-12-19 CN claimed
US-6288083-B1 ADMINISTERING COMOUNDS SUCH AS 4-(4-CHLOROPHENYL)-1-(4-(3-METHOXYPHENYL)-4-(3-PYRIDINYL)-3 -BUTENYL)PIPERIDIN-4-OL TO TREAT DISEASES ASSOCIATED WITH ABERRANT LEUKOCYTE RECRUITMENT AND/OR ACTIVATION MILLENNIUM PHARMACEUTICALS, INC. 2001-09-11 US claimed
EP-1106605-A1 ALPHA1B-ADRENERGIC RECEPTOR ANTAGONISTS TORAY INDUSTRIES, INC. (JP) 2001-06-13 EP claimed
EP-0041674-B1 2-(TRICHLORO-METHYL-PHENYL)-4-HALOGEN-OXAZOLE DERIVATIVES, PROCESS FOR PREPARING THEM AND RADIATION-SENSITIVE COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1986-02-26 EP claimed
EP-0041675-B1 4-HALOGEN-5-(TRICHLOROMETHYL-PHENYL)-OXAZOLE DERIVATIVES, PROCESS FOR PREPARING THEM AND RADIATION-SENSITIVE COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1985-12-11 EP claimed
EP-4559911-A1 NOVEL HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION FOR INHIBITING AUTOTAXIN COMPRISING THE SAME Nextgen Bioscience Co., Ltd. (KR) 2025-05-28 EP disclosed
US-20250109135-A1 NOVEL ISOINDOLINONE DERIVATIVE COMPOUNDS AS CASPASE INHIBITORS INNOVO THERAPEUTICS INC. (KR) 2025-04-03 US disclosed
CN-119585265-A Novel heterocyclic compound and pharmaceutical composition for inhibiting autotaxin comprising same 株式会社次代生物科学 2025-03-07 CN disclosed
US-20250066343-A1 NOVEL CANNABICHROMENIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR, AND COMPOSITION COMPRISING SAME FOR IMPROVING COGNITIVE FUNCTION K-Medichem Co., Ltd. (KR) 2025-02-27 US disclosed
US-4783398-A Photographic silver halide emulsion containing tabular grains of high chloride content FUJI PHOTO FILM CO., LTD. (JP) 1988-11-08 US disclosed
EP-0041674-B1 2-(TRICHLORO-METHYL-PHENYL)-4-HALOGEN-OXAZOLE DERIVATIVES, PROCESS FOR PREPARING THEM AND RADIATION-SENSITIVE COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1986-02-26 EP disclosed
EP-0041675-B1 4-HALOGEN-5-(TRICHLOROMETHYL-PHENYL)-OXAZOLE DERIVATIVES, PROCESS FOR PREPARING THEM AND RADIATION-SENSITIVE COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1985-12-11 EP disclosed
US-4371607-A 4-Halogeno-5-(halogenomethyl-phenyl)-oxazole derivatives, a process for the preparation thereof, and radiation-sensitive compositions containing these derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-01 US disclosed
US-4371606-A 2-(Halogenomethyl-phenyl)-4-halogeno-oxaxole derivatives, a process for the preparation thereof, and radiation-sensitive compositions containing these derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-01 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 (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-20030095958-A1 Inhibitors of bace BACE2, BACE1, APP POLB 766/4885FAAH 1019/4885GBA1 143/4885
US-20250109135-A1 NOVEL ISOINDOLINONE DERIVATIVE COMPOUNDS AS CASPASE INHIBITORS CASP1, CASP8, CASP2 POLB 3970/4885FAAH 2293/4885GBA1 1949/4885
US-20250066343-A1 NOVEL CANNABICHROMENIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR, AND COMPOSITION COMPRISING SAME FOR IMPROVING COGNITIVE FUNCTION BCHE, NOTUM, ACHE POLB 804/4885FAAH 17/4885GBA1 115/4885

“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.