SCHEMBL17847150

SCHEMBL17847150

COC(=O)[C@@H](C)Oc1cccc(N)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.48
PLAU P00749 1/20 0.48
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 7/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 4/20 0.39
CYP3A4 P08684 1/20 0.39
PIK3CA P42336 1/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 1/20 0.38
KCNH2 Q12809 1/20 0.38
HSD17B10 Q99714 3/20 0.38
CFTR P13569 1/20 0.38
ALDH2 P05091 1/20 0.37
HPGD P15428 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPK1 P28482 1/20 0.36
ADRA2B P18089 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL10975368 1.00 F9 (0.48) F9PLAUKMT2AALDH1A1GAA
SCHEMBL17846921 0.84 KMT2A (0.56) KMT2AALDH1A1GAATSHRCYP3A4
SCHEMBL27296339 0.83 F9 (0.46) F9PLAUKMT2AALDH1A1GAA
SCHEMBL10974859 0.79 F9 (0.43) F9PLAUKMT2AALDH1A1GAA
SCHEMBL21415510 0.77 HPGD (0.56) F9PLAUKMT2AALDH1A1GAA
SCHEMBL20097882 0.77 HPGD (0.56) F9PLAUKMT2AALDH1A1GAA
SCHEMBL10976293 0.77 GLA (0.51) KMT2AALDH1A1GAATSHRCYP3A4
SCHEMBL17846934 0.77 GLA (0.51) KMT2AALDH1A1GAATSHRCYP3A4
SCHEMBL10728543 0.76 CYP3A4 (0.52) KMT2AALDH1A1GAATSHRCYP3A4
SCHEMBL14122546 0.75 F9 (0.45) F9PLAUKMT2AALDH1A1GAA

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 F9 2818/4885PLAU 2585/4885KMT2A 3177/4885
US-20170354620-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF PTGER1, PTGES, PTGES3 F9 2818/4885PLAU 2585/4885KMT2A 3177/4885

“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.