SCHEMBL17846995

SCHEMBL17846995

Cc1c(C=CC(=O)O)cccc1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.41
ELANE P08246 1/20 0.40
CTRB1 P17538 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
P2RX7 Q99572 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
NFKB1 P19838 1/20 0.39
CA4 P22748 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL17846993 1.00 BRD9 (0.41) BRD9ELANECTRB1RXFP1ALDH1A1
SCHEMBL8953420 0.88 CA1 (0.45) BRD9RXFP1POLBCA1CA2
SCHEMBL16816111 0.88 CA1 (0.45) BRD9RXFP1POLBCA1CA2
SCHEMBL17432439 0.84 RXFP1 (0.40) BRD9ELANECTRB1RXFP1ALDH1A1
SCHEMBL29954785 0.83 RXFP1 (0.43) BRD9ELANECTRB1RXFP1ALDH1A1
SCHEMBL11110869 0.80 ALDH1A1 (0.46) ALDH1A1POLBCYP2C9CYP2C19KDM4E
SCHEMBL11110867 0.80 ALDH1A1 (0.46) ALDH1A1POLBCYP2C9CYP2C19KDM4E
Methyl Alcohol SCHEMBL8740639 0.79 ALDH1A1 (0.45) ALDH1A1POLBCYP2C9CYP2C19KDM4E
SCHEMBL5866194 0.79 HSP90AA1 (0.46) BRD9ELANECTRB1RXFP1ALDH1A1
SCHEMBL30341113 0.77 MEN1 (0.46) BRD9ELANECTRB1RXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172814-B2 Substituted pyridyl-cycloalkyl-carboxylic acids, compositions containing them and medical uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-08 US disclosed
US-20170354620-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
EP-3233802-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-10-25 EP disclosed
WO-2016097013-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 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-10172814-B2 Substituted pyridyl-cycloalkyl-carboxylic acids, compositions containing them and medical uses thereof PTGER1, PTGES, PTGES3 BRD9 3754/4885ELANE 212/4885CTRB1 781/4885
US-20170354620-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF PTGER1, PTGES, PTGES3 BRD9 3754/4885ELANE 212/4885CTRB1 781/4885

“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.