SCHEMBL1854636

SCHEMBL1854636

Cc1ccc(-c2cccc(C(=O)O)c2C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
HNF4A P41235 1/20 0.45
MYC P01106 1/20 0.44
AKR1C3 P42330 1/20 0.44
POLB P06746 1/20 0.43
BRS3 P32247 1/20 0.43
MCL1 Q07820 2/20 0.42
IDO1 P14902 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
UHRF1 Q96T88 1/20 0.40
BAD Q92934 1/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40

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
SCHEMBL10495886 0.87 HSD17B10 (0.49) GAAKMT2AHNF4AMYCAKR1C3
SCHEMBL372 0.79 KMT2A (0.60) NPC1GAARAB9AKMT2AHNF4A
SCHEMBL31402608 0.79 KMT2A (0.60) NPC1GAARAB9AKMT2AHNF4A
SCHEMBL161622 0.78 ALOX15 (0.53) MYCPOLBSMN1; SMN2ALOX15HSD17B10
SCHEMBL11142513 0.78 POLB (0.54) NPC1GAARAB9AKMT2AHNF4A
Hydrochloric Acid SCHEMBL7610390 0.78 KMT2A (0.59) NPC1GAARAB9AKMT2AHNF4A
SCHEMBL15664279 0.77 POLB (0.49) NPC1GAARAB9AKMT2AHNF4A
SCHEMBL17965677 0.77 TSHR (0.52) NPC1GAARAB9AKMT2AHNF4A
SCHEMBL28064460 0.77 ALOX15 (0.52) MYCPOLBSMN1; SMN2ALOX15HSD17B10
SCHEMBL11930069 0.75 ALDH1A1 (0.57) KMT2AMYCAKR1C3POLBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 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 (1 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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 NPC1 2939/4885GAA 1385/4885RAB9A 3290/4885

“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.