SCHEMBL836022

SCHEMBL836022

C[C@H](NC(=O)O)[C@@H](O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
LMNA P02545 1/20 0.49
TRPA1 O75762 1/20 0.49
TAAR1 Q96RJ0 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
CTRB1 P17538 3/20 0.46
MME P08473 1/20 0.46
CYP1A2 P05177 1/20 0.46
LTA4H P09960 1/20 0.45

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
SCHEMBL3015640 1.00 NPC1 (0.56) NPC1RAB9ALMNATRPA1TAAR1
SCHEMBL836021 1.00 NPC1 (0.56) NPC1RAB9ALMNATRPA1TAAR1
SCHEMBL3736419 0.81 PPARG (0.45) NPC1RAB9AMME
SCHEMBL9012913 0.80 BACE1 (0.50) NPC1RAB9ACYP1A2
SCHEMBL851074 0.80 ATM (0.59)
SCHEMBL13208509 0.80 ATM (0.59)
SCHEMBL24609344 0.79 NPC1 (0.79) NPC1RAB9ALMNATAAR1
SCHEMBL2543698 0.79 NPC1 (0.79) NPC1RAB9ALMNATAAR1
SCHEMBL13315339 0.79 TRPA1 (0.53) NPC1RAB9ATRPA1TAAR1
SCHEMBL25172770 0.79 KMT2A (0.52) MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
EP-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 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 (4 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 NPC1 30/4885RAB9A 1785/4885LMNA 1618/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 NPC1 30/4885RAB9A 1785/4885LMNA 1618/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 NPC1 30/4885RAB9A 1785/4885LMNA 1618/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 NPC1 30/4885RAB9A 1785/4885LMNA 1618/4885

“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.