SCHEMBL15948901

SCHEMBL15948901

CC(=O)N[C@@H](C)c1nccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.50
ALOX15 P16050 1/20 0.50
NAMPT P43490 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.44
ACACB O00763 3/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPKAPK2 P49137 1/20 0.43
CSF1R P07333 2/20 0.39
BMPR1B O00238 1/20 0.39
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
GAK O14976 1/20 0.39
EPHB6 O15197 1/20 0.39
RIPK2 O43353 1/20 0.39
STK10 O94804 1/20 0.39
ABL1 P00519 1/20 0.39

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
SCHEMBL7628174 1.00 ALOX12 (0.50) ALOX12ALOX15NAMPTNPC1RAB9A
SCHEMBL4480948 0.86 NPC1 (0.48) ALOX12ALOX15NAMPTNPC1RAB9A
SCHEMBL21814162 0.86 NPC1 (0.48) ALOX12ALOX15NAMPTNPC1RAB9A
SCHEMBL15946929 0.84 ALOX12 (0.52) ALOX12ALOX15NAMPTNPC1RAB9A
SCHEMBL29391897 0.84 ALOX12 (0.46) ALOX12ALOX15NAMPTNPC1RAB9A
SCHEMBL19318589 0.81 ALOX12 (0.47) ALOX12ALOX15NAMPTNPC1RAB9A
SCHEMBL3661276 0.81 ALOX12 (0.50) ALOX12ALOX15NAMPTNPC1RAB9A
SCHEMBL19318545 0.81 ALOX12 (0.47) ALOX12ALOX15NAMPTNPC1RAB9A
SCHEMBL19323073 0.81 ALOX12 (0.50) ALOX12ALOX15NAMPTNPC1RAB9A
SCHEMBL19324441 0.81 ALOX12 (0.50) ALOX12ALOX15NAMPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 ALOX12 4672/4885ALOX15 4576/4885NAMPT 1761/4885
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 ALOX12 4672/4885ALOX15 4576/4885NAMPT 1761/4885

“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.