SCHEMBL9899401

SCHEMBL9899401

CC(C(C(=O)Nc1cc(CC2(C(=O)OC(C)(C)C)CC2)ccc1Cl)c1ccc(CC(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
HSD11B1 P28845 1/20 0.31
P4HB P07237 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9899687 0.93 TRPV1 (0.36) KMT2ALMNAL3MBTL1SMN1; SMN2TRPV1
SCHEMBL10006450 0.93 TRPV1 (0.36) KMT2ALMNAL3MBTL1SMN1; SMN2TRPV1
SCHEMBL10006332 0.92 KMT2A (0.41) KMT2ALMNAL3MBTL1THRBSMN1; SMN2
SCHEMBL10006326 0.91 KMT2A (0.34) KMT2ALMNAL3MBTL1THRBSMN1; SMN2
SCHEMBL10006393 0.90 KMT2A (0.36) KMT2ALMNAL3MBTL1THRBSMN1; SMN2
SCHEMBL10006489 0.89 LMNA (0.37) KMT2ALMNAL3MBTL1THRBSMN1; SMN2
SCHEMBL10006269 0.89 KMT2A (0.36) KMT2ALMNAL3MBTL1THRBSMN1; SMN2
SCHEMBL16749152 0.86 FFAR2 (0.37) AAK1
SCHEMBL10006447 0.86 FFAR2 (0.37) AAK1
SCHEMBL10006429 0.85 CYP1A2 (0.38) KMT2ALMNASMN1; SMN2TRPV1GAA

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 10 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
EP-2649045-A2 SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-10-16 EP 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
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-05 US disclosed
WO-2012076466-A2 SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-14 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 (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 3289/4885LMNA 456/4885L3MBTL1 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.