SCHEMBL10006239

SCHEMBL10006239

C[C@H]([C@H](C(=O)Nc1cc(CC2(C(=O)O)CC2(F)F)ccc1Cl)c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
PANK3 Q9H999 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR2 O15552 8/20 0.35
ALDH1A1 P00352 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
LMNA P02545 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34

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
SCHEMBL10006333 0.89 TRPV1 (0.35) KMT2AMEN1L3MBTL1TRPV1PANK3
SCHEMBL10006324 0.87 KMT2A (0.41) KMT2AMEN1L3MBTL1TRPV1PANK3
Bicarbonate SCHEMBL16735546 0.84 KMT2A (0.39) KMT2AMEN1L3MBTL1TRPV1PANK3
Bicarbonate SCHEMBL16735616 0.82 KMT2A (0.41) KMT2AMEN1L3MBTL1TRPV1PANK3
SCHEMBL12535983 0.82 L3MBTL1 (0.45) KMT2AMEN1L3MBTL1TRPV1SMN1; SMN2
SCHEMBL1908272 0.82 L3MBTL1 (0.45) KMT2AMEN1L3MBTL1TRPV1SMN1; SMN2
SCHEMBL6903201 0.82 L3MBTL1 (0.45) KMT2AMEN1L3MBTL1TRPV1SMN1; SMN2
SCHEMBL1933000 0.82 L3MBTL1 (0.47) KMT2AMEN1L3MBTL1TRPV1SMN1; SMN2
SCHEMBL6901054 0.82 L3MBTL1 (0.45) KMT2AMEN1L3MBTL1TRPV1SMN1; SMN2
SCHEMBL1932640 0.82 L3MBTL1 (0.45) KMT2AMEN1L3MBTL1TRPV1SMN1; SMN2

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 7 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
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

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 KMT2A 3289/4885MEN1 3894/4885L3MBTL1 1602/4885

“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.