Sugi Predict

Sugi Predict / Compounds / SCHEMBL107399

SCHEMBL107399

SCHEMBL107399

COc1cc(C(=O)Cl)ccc1C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 2/20 0.53
▸ EPHX2 P34913 1/20 0.53
▸ CYP3A4 P08684 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RARA P10276 2/20 0.44
▸ RARB P10826 2/20 0.44
▸ RARG P13631 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA7 P43166 1/20 0.44

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
SCHEMBL5218149 0.86 RARA (0.56) NR1H4EPHX2CYP3A4TSHRCYP1A2
SCHEMBL13599887 0.84 NR1H4 (0.55) NR1H4EPHX2CYP3A4TSHRCYP1A2
SCHEMBL1542321 0.84 NR1H4 (0.66) NR1H4EPHX2TSHRRARARARB
SCHEMBL1690496 0.83 MAPK1 (0.55) NR1H4EPHX2CYP3A4TSHRCYP1A2
SCHEMBL29588341 0.83 MAPK1 (0.55) NR1H4EPHX2CYP3A4TSHRCYP1A2
SCHEMBL3371875 0.83 MAPT (0.58) NR1H4EPHX2CYP3A4TSHRCYP1A2
SCHEMBL5215329 0.82 TSHR (0.45) NR1H4EPHX2TSHRTP53LMNA
SCHEMBL16960946 0.80 NR1H4 (0.50) NR1H4EPHX2CYP3A4TSHRCYP1A2
SCHEMBL22059615 0.80 NR1H4 (0.51) NR1H4EPHX2CYP3A4TSHRCYP1A2
SCHEMBL17148224 0.80 NR1H4 (0.51) NR1H4EPHX2CYP3A4TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 — — EP disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 — — US disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 — — US disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 — — US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 — — US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 — — US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 — — US disclosed
EP-2205564-B1 NOVEL KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2014-07-30 — — EP disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 — — US disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 — — US disclosed
WO-2004096210-A1 ACYLATED INDOLINE AND TETRAHYDROQUINOLINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2004-11-11 — — WO disclosed
WO-2004096774-A1 ACYL ISOINDOLINE DERIVATIVES AND ACYL ISOQUINOLINE DERIVATIVES AS ANTI-VIRAL AGENTS GLAXO GROUP LIMITED (GB) 2004-11-11 — — WO disclosed
WO-2004076415-A1 1- (HETERO)AROYL-PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS ANTI.VIRAL AGENTS GLAXO GROUP LIMITED (GB) 2004-09-10 — — WO disclosed
EP-1440070-A1 4-(5-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-28 — — EP disclosed
EP-1440069-A1 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-28 — — EP disclosed
WO-2004060889-A1 5-THIAZOLE SUBSTITUTED 2-PYRROLIDINE-CARBOXYLIC ACIDS GLAXO GROUP LIMITED (GB) 2004-07-22 — — WO disclosed
WO-2004037818-A1 1-ACYL-PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2004-05-06 — — WO disclosed
WO-2003097646-A1 ACYL BICYCLIX DERIVATIVES OF PYRROL GLAXO GROUP LIMITED (GB) 2003-11-27 — — WO disclosed
WO-2003037894-A1 4-(5-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-08 — — WO disclosed
WO-2003037895-A1 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-08 — — 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-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 NR1H4 1464/4885EPHX2 2498/4885CYP3A4 2842/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 NR1H4 2022/4885EPHX2 1407/4885CYP3A4 979/4885

“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.