SCHEMBL14482134

SCHEMBL14482134

Cc1c(C(=O)O)c(C(C)C)nn1-c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.56
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
PTGS2 P35354 2/20 0.43
P2RX7 Q99572 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PPARG P37231 1/20 0.42
NOTUM Q6P988 1/20 0.41
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.39
HMGCR P04035 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
SCHEMBL12264385 0.85 PPARA (0.47) PPARAPTGS2P2RX7LMNAALDH1A1
SCHEMBL2857382 0.82 LMNA (0.53) MEN1KMT2APTGS2LMNAPOLB
SCHEMBL9441588 0.79 CYP2C9 (0.56) PPARAMEN1KMT2AP2RX7ALDH1A1
SCHEMBL14482912 0.77 MEN1 (0.47) PPARAMEN1KMT2APTGS2LMNA
SCHEMBL14482943 0.77 LMNA (0.49) MEN1KMT2APTGS2LMNAALDH1A1
SCHEMBL14482198 0.76 MEN1 (0.81) MEN1KMT2AALDH1A1
SCHEMBL2564655 0.76 PPARA (0.46) PPARAMEN1KMT2APTGS2P2RX7
SCHEMBL23147100 0.71 LMNA (0.51) PPARAMEN1KMT2APTGS2LMNA
SCHEMBL20551576 0.71 HPGD (0.56) MEN1KMT2APTGS2LMNAPOLB
SCHEMBL4422536 0.71 ALDH1A1 (0.75) PPARAMEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716485-B2 Pyrazole synthesis by coupling of carboxylic acid derivatives and enamines WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) 2014-05-06 US disclosed
US-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES WESTFAELISCHE WILHELMS UNIVERSITAET MUENSTER (DE) 2013-01-10 US 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-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES PC, ENO1, PDK2 PPARA 176/4885MEN1 2319/4885KMT2A 1571/4885

“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.