SCHEMBL17847176

SCHEMBL17847176

CC(C)Cc1cncc(B(O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ENPP2 Q13822 1/20 0.32
LPL P06858 3/20 0.31
LIPG Q9Y5X9 3/20 0.31
FDPS P14324 1/20 0.30
PTGS1 P23219 3/20 0.30
PTGS2 P35354 3/20 0.30
LMNA P02545 2/20 0.30
CYP2C9 P11712 2/20 0.30
AKR1C3 P42330 2/20 0.30
CXCR1 P25024 2/20 0.30
CXCR2 P25025 2/20 0.30
ALB P02768 1/20 0.30
ESR1 P03372 1/20 0.30
ALOX5 P09917 1/20 0.30
RARB P10826 1/20 0.30
ADRB3 P13945 1/20 0.30
NFKB1 P19838 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL14557688 0.80 GABRA1 (0.39) GABRA1GABRB2FDPSPTGS1PTGS2
SCHEMBL1303307 0.79 LPL (0.48) ENPP2LPLLIPG
SCHEMBL15940842 0.76 ENPP2 (0.50) ENPP2LPLLIPG
Hydrochloric Acid SCHEMBL29955592 0.75 ENPP2 (0.48) ENPP2LPLLIPG
SCHEMBL17556274 0.74 CHRNB2 (0.43) ENPP2LPLLIPGLMNACYP2C9
SCHEMBL17997487 0.74 DYRK1A (0.36) ENPP2LPLLIPG
SCHEMBL2067301 0.74 CYP11B2 (0.42) ENPP2LPLLIPG
SCHEMBL14983862 0.72 CYP11B1 (0.39)
SCHEMBL13534147 0.72 GPR55 (0.35) GABRA1GABRB2
SCHEMBL28967087 0.72 ENPP2 (0.36) ENPP2LPLLIPGTSHR

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 GABRA1 1341/4885GABRB2 1044/4885ENPP2 37/4885
US-20170354620-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF PTGER1, PTGES, PTGES3 GABRA1 1341/4885GABRB2 1044/4885ENPP2 37/4885

“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.