SCHEMBL2199723

SCHEMBL2199723

CSc1ccccc1C(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
HTT P42858 2/20 0.53
KMT2A Q03164 5/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
GAA P10253 3/20 0.51
NPC1 O15118 3/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.50
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL28451989 0.84 CA12 (0.50) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL226117 0.84 POLB (0.64) ALDH1A1KMT2ASMN1; SMN2GAAMEN1
SCHEMBL9669181 0.84 HTT (0.55) ALDH1A1HTTKMT2ARAB9ASMN1; SMN2
SCHEMBL26622207 0.82 HTT (0.53) ALDH1A1HTTKMT2ARAB9ASMN1; SMN2
SCHEMBL29391544 0.82 POLB (0.68) ALDH1A1HTTKMT2ARAB9AGAA
SCHEMBL709788 0.82 POLB (0.68) ALDH1A1HTTKMT2ARAB9AGAA
SCHEMBL3066455 0.82 CA12 (0.48) ALDH1A1HTTKMT2ASMN1; SMN2MEN1
SCHEMBL5271262 0.81 ALDH1A1 (0.50) ALDH1A1HTTKMT2ARAB9ASMN1; SMN2
SCHEMBL515125 0.80 HTT (0.51) ALDH1A1HTTKMT2ARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6682455 0.80 POLB (0.65) ALDH1A1HTTKMT2ARAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041567-A Human and veterianary medicine; veneral diseases respiratory diseases, bovine mastitis BEECHAM GROUP PLC (GB) 1991-08-20 US claimed
US-11872206-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2024-01-16 US disclosed
US-11872206-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2024-01-16 US disclosed
US-20230348524-A1 TECHNOLOGIES FOR OLIGONUCLEOTIDE PREPARATION WAVE LIFE SCIENCES LTD. (SG) 2023-11-02 US disclosed
US-11617735-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2023-04-04 US disclosed
US-11576890-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2023-02-14 US disclosed
US-11576890-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2023-02-14 US disclosed
US-11559509-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2023-01-24 US disclosed
US-11559509-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2023-01-24 US disclosed
US-20220409568-A1 PURIFIED FORMS OF ROFECOXIB, METHODS OF MANUFACTURE AND USE Tremeau Pharmaceuticals, Inc. (US) 2022-12-29 US disclosed
US-6391870-B2 DOPAMINERGIC AGENT SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2002-05-21 US disclosed
US-20020006921-A1 Pyrrolo {2,1-b}{1,3}benzothiazepines with atypical antipsychotic activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2002-01-17 US disclosed
EP-1100803-A2 PYRROLO 2,1-B] 1,3]BENZOTHIAZEPINES WITH ATYPICAL ANTIPSYCHOTIC ACTIVITY Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2001-05-23 EP disclosed
WO-2000006579-A2 PYRROLO[2,1-B][1,3]BENZOTHIAZEPINES WITH ATYPICAL ANTIPSYCHOTIC ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2000-02-10 WO disclosed
CN-1204318-A Aromatic thioether acylation method RHODIA CHIMIE SA (FR) 1999-01-06 CN disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP disclosed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO disclosed
EP-0019450-B1 PYRIMIDINE DERIVATIVES AND THEIR PRODUCTION AND AGRICULTURAL USES Takeda Chemical Industries, Ltd. (JP) 1983-02-23 EP disclosed
EP-0019450-A1 Pyrimidine derivatives and their production and agricultural uses Takeda Chemical Industries, Ltd. (JP) 1980-11-26 EP 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 (7 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-11872206-B2 Purified forms of rofecoxib, methods of manufacture and use ITGA2B, F13B, F11 ALDH1A1 2666/4885HTT 4081/4885KMT2A 1173/4885
US-11617735-B2 Purified forms of rofecoxib, methods of manufacture and use ITGA2B, F13B, F11 ALDH1A1 2666/4885HTT 4081/4885KMT2A 1173/4885
US-11559509-B2 Purified forms of rofecoxib, methods of manufacture and use ITGA2B, F13B, F11 ALDH1A1 2666/4885HTT 4081/4885KMT2A 1173/4885
US-11576890-B2 Purified forms of rofecoxib, methods of manufacture and use ITGA2B, F13B, F11 ALDH1A1 2666/4885HTT 4081/4885KMT2A 1173/4885
US-20220409568-A1 PURIFIED FORMS OF ROFECOXIB, METHODS OF MANUFACTURE AND USE ITGA2B, F13B, F11 ALDH1A1 2666/4885HTT 4081/4885KMT2A 1173/4885
US-20230348524-A1 TECHNOLOGIES FOR OLIGONUCLEOTIDE PREPARATION POLRMT, DCLRE1B, RNGTT ALDH1A1 3318/4885HTT 359/4885KMT2A 1707/4885
US-20020006921-A1 Pyrrolo {2,1-b}{1,3}benzothiazepines with atypical antipsychotic activity GABRE, GRIN2B, DRD1 ALDH1A1 838/4885HTT 649/4885KMT2A 1090/4885

“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.