SCHEMBL2929649

SCHEMBL2929649

CCOC(=O)c1c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(Br)ccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 2/20 0.40
TGM2 P21980 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.40
ELANE P08246 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 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
SCHEMBL13765376 0.90 SMN1; SMN2 (0.46) KDM4EMAPK1MEN1KMT2APOLB
SCHEMBL2928016 0.85 KMT2A (0.47) NPC1KDM4EHSD17B10MAPK1MEN1
SCHEMBL2924410 0.84 ALDH1A1 (0.45) KDM4EMEN1KMT2APOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL2922661 0.84 ELANE (0.43) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL13783476 0.81 TSHR (0.46) KDM4EHSD17B10MAPK1MEN1KMT2A
SCHEMBL2345364 0.80 ELANE (0.48) KDM4ESMN1; SMN2ALDH1A1TSHRELANE
SCHEMBL2342085 0.78 ELANE (0.40) ALDH1A1ELANELMNA
SCHEMBL2346802 0.77 ELANE (0.39) ALDH1A1TSHRELANEPKM
SCHEMBL2344542 0.77 ELANE (0.39) ALDH1A1TSHRELANE
SCHEMBL2924748 0.76 ACLY (0.45) MAPK1MEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534695-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2010-09-29 EP disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US disclosed
EP-1534695-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-06-11 EP disclosed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 US disclosed
EP-1534695-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 EP disclosed
WO-2004014851-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-02-19 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-20050261496-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 RAB9A 2681/4885NPC1 3029/4885KDM4E 1065/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 RAB9A 2681/4885NPC1 3029/4885KDM4E 1065/4885

“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.