SCHEMBL9904100

SCHEMBL9904100

CC1(C)OC(=O)C(Cc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
KDM1A O60341 1/20 0.40
VCAM1 P19320 11/20 0.39
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
MEN1 O00255 1/20 0.37
APOBEC3A P31941 1/20 0.37
KMT2A Q03164 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL3100458 0.82 NPSR1 (0.56) GLANPSR1ALDH1A1PKM
SCHEMBL3091631 0.79 GLA (0.61) GLANPSR1ALDH1A1POLBMEN1
SCHEMBL15647719 0.74 GLA (0.67) GLANPSR1ALDH1A1MEN1KMT2A
SCHEMBL3101147 0.73 GLA (0.47) GLANPSR1ALDH1A1KDM4EPOLB
SCHEMBL20608084 0.72 MDM2 (0.47) GLANPSR1ALDH1A1KDM4EPOLB
SCHEMBL31607391 0.71 GLA (0.48) GLANPSR1ALDH1A1POLBKMT2A
SCHEMBL811582 0.71 VCAM1 (0.54) ALDH1A1KDM4EPOLBVCAM1MEN1
SCHEMBL11482755 0.70 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBKDM1AVCAM1
SCHEMBL9193771 0.70 GLA (0.69) GLANPSR1ALDH1A1MEN1KMT2A
SCHEMBL4520586 0.69 VCAM1 (0.53) ALDH1A1KDM4EPOLBKDM1AVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649045-B1 SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF BAYER IP GMBH (DE) 2015-05-27 EP disclosed
EP-2649045-B1 SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF BAYER IP GMBH (DE) 2015-05-27 EP disclosed
US-9018258-B2 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-9018258-B2 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-9018258-B2 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
EP-2649045-A2 SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-10-16 EP disclosed
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-05 US disclosed
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-05 US disclosed
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-05 US disclosed
WO-2012076466-A2 SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-14 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-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof PC, ACACA, PCCA GLA 670/4885NPSR1 3538/4885ALDH1A1 419/4885

“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.