SCHEMBL15946995

SCHEMBL15946995

CCOC(=O)c1sc(=S)[nH]c1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.60
ALDH1A1 P00352 9/20 0.51
MAPT P10636 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
HPGD P15428 5/20 0.51
HSD17B10 Q99714 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 2/20 0.51
CDC7 O00311 2/20 0.51
DBF4 Q9UBU7 2/20 0.51
RAB9A P51151 2/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 3/20 0.50
LMNA P02545 2/20 0.50
MAPK10 P53779 1/20 0.50
MAPK1 P28482 1/20 0.49
DHODH Q02127 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL11282298 0.84 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL19669121 0.84 TRPM8 (0.48) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL15946994 0.79 SMN1; SMN2 (0.45) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL15946993 0.79 SMN1; SMN2 (0.40) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL1880439 0.76 MC4R (1.00) MC4RALDH1A1MAPTMEN1KMT2A
SCHEMBL30482846 0.72 ALDH1A1 (0.76) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7552573 0.72 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL1561049 0.72 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL11801791 0.71 KDM4E (0.54) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL1156774 0.70 MAPT (0.54) ALDH1A1MAPTMEN1KMT2AHPGD

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-2739143-B1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5- MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS FLYNN GARY A (US) 2018-07-11 EP disclosed
US-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2018-05-10 US disclosed
US-9833455-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors SPACEFILL ENTERPRISES LLC (US) 2017-12-05 US disclosed
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2016-10-20 US disclosed
US-9221805-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors Spacefill Enterprises LLP (US) 2015-12-29 US disclosed
US-9221805-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors Spacefill Enterprises LLP (US) 2015-12-29 US disclosed
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2014-08-14 US disclosed
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2014-08-14 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-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 MC4R 2510/4885ALDH1A1 3761/4885MAPT 2839/4885
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 MC4R 2510/4885ALDH1A1 3761/4885MAPT 2839/4885
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 MC4R 2510/4885ALDH1A1 3761/4885MAPT 2839/4885

“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.