SCHEMBL9900298

SCHEMBL9900298

CC(C(C(=O)Nc1cccc(CC2(C(=O)O)CC2)c1)c1ccc(C(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.43
SLC1A2 P43004 4/20 0.43
SLC1A1 P43005 4/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
PAX8 Q06710 1/20 0.39
MGLL Q99685 1/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
NR1H4 Q96RI1 2/20 0.39
MTOR P42345 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
SCHEMBL10006265 0.91 MAPT (0.38) ALDH1A1SMN1; SMN2POLBMEN1CYP1A2
SCHEMBL10006581 0.90 ACKR3 (0.43) ALDH1A1SMN1; SMN2POLBMEN1CYP1A2
SCHEMBL10006523 0.90 MAPT (0.40) ALDH1A1SMN1; SMN2POLBMEN1CYP1A2
SCHEMBL9899617 0.90 MAPT (0.40) ALDH1A1SMN1; SMN2POLBMEN1CYP1A2
SCHEMBL10006228 0.89 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1ALDH1A1SMN1; SMN2
SCHEMBL10006368 0.88 NLRP3 (0.41) ALDH1A1NLRP3UBE2MDCUN1D1
SCHEMBL10006955 0.86 S1PR1 (0.47)
Bicarbonate SCHEMBL9900300 0.84 ALDH1A1 (0.43) SLC1A3SLC1A2SLC1A1ALDH1A1SMN1; SMN2
SCHEMBL10006542 0.84 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2MEN1CYP1A2CYP2C9
SCHEMBL1178248 0.82 KCNJ6 (0.39)

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 SLC1A3 798/4885SLC1A2 933/4885SLC1A1 887/4885

“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.