SCHEMBL516227

SCHEMBL516227

Cc1ccc(S(=O)(=O)O)c(CCOCCOCCOCCOCCc2cc(C)ccc2S(=O)(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 3/20 0.35
AMY1A P0DUB6 1/20 0.34
KDM4E B2RXH2 3/20 0.33
PTGS2 P35354 3/20 0.33
MEP1B Q16820 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
FBP1 P09467 1/20 0.33
PTGS1 P23219 1/20 0.33
PDIA6 Q15084 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
CASP6 P55212 1/20 0.33
KMT2A Q03164 1/20 0.33
ELAVL1 Q15717 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL29790344 1.00 TAAR1 (0.36) TAAR1GAAHSD17B10ALDH1A1AMY1A
SCHEMBL29488092 1.00 TAAR1 (0.36) TAAR1GAAHSD17B10ALDH1A1AMY1A
SCHEMBL478439 1.00 TAAR1 (0.36) TAAR1GAAHSD17B10ALDH1A1AMY1A
SCHEMBL1648239 0.98 GAA (0.36) TAAR1GAAHSD17B10ALDH1A1AMY1A
SCHEMBL4773853 0.94 HPGD (0.34) TAAR1GAAHSD17B10ALDH1A1KDM4E
SCHEMBL17022397 0.94 PTGS2 (0.40) TAAR1GAAHSD17B10ALDH1A1AMY1A
SCHEMBL18044479 0.94 PTGS2 (0.40) TAAR1GAAHSD17B10ALDH1A1AMY1A
SCHEMBL5861868 0.94 HPGD (0.34) TAAR1GAAHSD17B10ALDH1A1KDM4E
SCHEMBL10617632 0.94 ALDH1A1 (0.38) TAAR1GAAHSD17B10ALDH1A1KDM4E
SCHEMBL18044488 0.94 PTGS1 (0.37) TAAR1GAAHSD17B10ALDH1A1AMY1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3173408-B1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL TAISHO PHARMACEUTICAL CO LTD (JP) 2018-11-21 EP disclosed
US-9932331-B2 Phenyl tetrahydroisoquinoline compound substituted with heteroaryl TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-04-03 US disclosed
US-20170210736-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL TAISHO PHARMACEUTICAL CO., LTD (JP) 2017-07-27 US disclosed
EP-3173408-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL Taisho Pharmaceutical Co., Ltd. (JP) 2017-05-31 EP disclosed
US-8822520-B2 Substituted bicyclic HCV inhibitors PRESIDIO PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-8709999-B2 Substituted bicyclic HCV inhibitors PRESIDIO PHARMACEUTICALS, INC. (US) 2014-04-29 US disclosed
US-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2013-07-11 US disclosed
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-02 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-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 TAAR1 4139/4885GAA 973/4885HSD17B10 633/4885
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 TAAR1 4139/4885GAA 973/4885HSD17B10 633/4885
US-20170210736-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL NHERF1, SLC9A3, SLC26A3 TAAR1 1394/4885GAA 2816/4885HSD17B10 1385/4885

“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.