SCHEMBL10006489

SCHEMBL10006489

COc1cc([C@@H](C(=O)Nc2cc(CC3(C(=O)OC(C)(C)C)CC3)ccc2Cl)[C@@H](C)C(F)(F)F)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
THRB P10828 1/20 0.37
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.34
CHEK1 O14757 1/20 0.34
PKM P14618 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ACACB O00763 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32

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
SCHEMBL10006446 0.94 LMNA (0.34) LMNATHRBMAPTKDM4EGAA
SCHEMBL9899687 0.91 TRPV1 (0.36) LMNAKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL10006450 0.91 TRPV1 (0.36) LMNAKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL10006326 0.90 KMT2A (0.34) LMNATHRBKMT2AMEN1ALDH1A1
SCHEMBL10006322 0.90 LMNA (0.39) LMNATHRBMAPTKDM4EGAA
SCHEMBL16749242 0.90 LMNA (0.39) LMNATHRBMAPTKDM4EGAA
SCHEMBL9899401 0.89 KMT2A (0.35) LMNATHRBMAPTKDM4EGAA
SCHEMBL10006332 0.89 KMT2A (0.41) LMNATHRBMAPTKDM4EGAA
SCHEMBL10006393 0.88 KMT2A (0.36) LMNATHRBMAPTKDM4EGAA
SCHEMBL10006425 0.84 ALDH1A1 (0.37) LMNATHRBMAPTKMT2AMEN1

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 LMNA 456/4885THRB 1502/4885MAPT 4559/4885

“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.