SCHEMBL3640883

SCHEMBL3640883

COc1ccc(SC)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
CYP3A4 P08684 2/20 0.61
TSHR P16473 2/20 0.61
HSD17B10 Q99714 1/20 0.61
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.44
SLC6A4 P31645 3/20 0.43
CRHR1 P34998 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
GAA P10253 2/20 0.42
ACHE P22303 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL12313604 0.84 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRHSD17B10POLB
SCHEMBL10756090 0.84 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRHSD17B10POLB
SCHEMBL11986291 0.83 POLB (0.46) ALDH1A1CYP3A4TSHRHSD17B10POLB
SCHEMBL16153836 0.83 POLB (0.46) ALDH1A1CYP3A4TSHRHSD17B10POLB
SCHEMBL3241808 0.79 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRHSD17B10POLB
SCHEMBL7211594 0.79 SLC6A4 (0.69) ALDH1A1SLC6A4
SCHEMBL3511278 0.78 CA12 (0.58) ALDH1A1CYP3A4HPGDCA12CA1
SCHEMBL6604093 0.78 CA12 (0.42) ALDH1A1CYP3A4TSHRHSD17B10POLB
SCHEMBL13019882 0.78 ALDH1A1 (0.51) ALDH1A1CYP3A4TSHRHSD17B10HPGD
SCHEMBL12300317 0.78 ALDH1A1 (0.51) ALDH1A1CYP3A4TSHRHSD17B10HPGD

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3798214-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2021-03-31 EP disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8916071-B2 Chromene compound and curable composition TOKUYAMA CORPORATION (JP) 2014-12-23 US disclosed
US-20140225050-A1 CHROMENE COMPOUND AND CURABLE COMPOSITION TOKUYAMA CORPORATION (JP) 2014-08-14 US disclosed
US-8507509-B2 Saturated and insaturated bi- or tricyclic aryloxyacetamine derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-08-13 US disclosed
EP-1606265-B1 2, 4- DI (PHENYLAMINO) PYRIMIDINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-02-02 EP disclosed
US-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-25 US disclosed
EP-2185518-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-05-19 EP disclosed
WO-2009030467-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG, (CH) 2009-03-12 WO disclosed
EP-0783486-B1 NOVEL PROSTAGLANDIN SYNTHASE INHIBITORS DU PONT PHARM CO (US) 1999-10-13 EP disclosed
US-5932586-A ANTIINFLAMMATORY AGENTS; ANTIPYRETICS DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-03 US disclosed
EP-0783486-A1 NOVEL PROSTAGLANDIN SYNTHASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-07-16 EP disclosed
US-5593994-A ANTIINFLAMMATORY AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-01-14 US disclosed
WO-1996010012-A1 NOVEL PROSTAGLANDIN SYNTHASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-04-04 WO 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-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP1B1, CYP1A1 ALDH1A1 109/4885CYP3A4 27/4885TSHR 1767/4885
US-20140225050-A1 CHROMENE COMPOUND AND CURABLE COMPOSITION CRY2, CRY1, CDYL ALDH1A1 2550/4885CYP3A4 1245/4885TSHR 1651/4885

“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.