Sugi Predict

Sugi Predict / Compounds / SCHEMBL10006322

SCHEMBL10006322

SCHEMBL10006322

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.39
▸ THRB P10828 1/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 5/20 0.37
▸ GAA P10253 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ITGB1 P05556 1/20 0.35
▸ ITGA4 P13612 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL16749242 1.00 LMNA (0.39) LMNATHRBKMT2AMEN1ALDH1A1
SCHEMBL10006425 0.94 ALDH1A1 (0.37) LMNATHRBKMT2AMEN1ALDH1A1
SCHEMBL10006489 0.90 LMNA (0.37) LMNATHRBKMT2AMEN1ALDH1A1
SCHEMBL10006324 0.89 KMT2A (0.41) LMNAKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL10006276 0.88 SMN1; SMN2 (0.36) LMNAKMT2AMEN1ALDH1A1GAA
SCHEMBL10006542 0.87 SMN1; SMN2 (0.43) LMNATHRBKMT2AMEN1ALDH1A1
SCHEMBL10006269 0.87 KMT2A (0.36) LMNATHRBKMT2AMEN1ALDH1A1
SCHEMBL10006217 0.85 SMN1; SMN2 (0.38) LMNATHRBKMT2AMEN1ALDH1A1
Bicarbonate SCHEMBL16735653 0.85 KMT2A (0.41) LMNATHRBKMT2AMEN1ALDH1A1
SCHEMBL6901415 0.84 LMNA (0.40) LMNATHRBKMT2AMEN1ALDH1A1

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 6 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
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 1502/4885KMT2A 3289/4885

“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.