SCHEMBL834974

SCHEMBL834974

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
CNR2 P34972 4/20 0.49
CNR1 P21554 1/20 0.49
TSHR P16473 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
AKR1B1 P15121 1/20 0.47
ALDH1A1 P00352 2/20 0.46
PSMB8 P28062 1/20 0.46
PSMB5 P28074 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HPGD P15428 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
SCHEMBL4473658 1.00 POLB (0.50) POLBCNR2CNR1TSHRNPC1
SCHEMBL1991963 1.00 POLB (0.50) POLBCNR2CNR1TSHRNPC1
SCHEMBL18082667 0.83 MEN1 (0.52) POLBCNR2TSHRNPC1RAB9A
SCHEMBL14368867 0.83 TSHR (0.50) POLBCNR2TSHRNPC1RAB9A
SCHEMBL1991941 0.79 ATM (0.53) KMT2A
SCHEMBL14738131 0.79 ATM (0.53) KMT2A
SCHEMBL835353 0.79 ATM (0.53) KMT2A
SCHEMBL18387203 0.79 TSHR (0.53) POLBCNR2TSHRNPC1RAB9A
SCHEMBL331007 0.78 TSHR (0.57) POLBCNR2TSHRNPC1RAB9A
SCHEMBL4583327 0.77 MEN1 (0.46) POLBCNR2CNR1MEN1KMT2A

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 POLB 2775/4885CNR2 188/4885CNR1 499/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 POLB 2775/4885CNR2 188/4885CNR1 499/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 POLB 2775/4885CNR2 188/4885CNR1 499/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 POLB 2775/4885CNR2 188/4885CNR1 499/4885

“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.