SCHEMBL5089227

SCHEMBL5089227

Cc1cc(NC(=O)Cc2cc(C#N)ccc2OCc2ccccc2)ccc1-c1ccccc1S(=O)(=O)NC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.45
P2RX4 Q99571 1/20 0.44
CYP19A1 P11511 1/20 0.42
ANO1 Q5XXA6 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
LMNA P02545 2/20 0.39
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
LRRK2 Q5S007 1/20 0.38
PPIA P62937 1/20 0.38
TNF P01375 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38

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
SCHEMBL7127088 0.80 MRGPRX4 (0.49) RORCP2RX4CYP19A1MRGPRX4LMNA
SCHEMBL7122686 0.79 P2RX4 (0.44) RORCP2RX4CYP19A1ANO1MRGPRX4
SCHEMBL7480433 0.79 LMNA (0.44) CYP19A1LMNA
SCHEMBL7121876 0.78 ALDH1A1 (0.49) P2RX4CYP19A1LMNA
SCHEMBL7561698 0.76 RORC (0.41) RORCP2RX4CYP19A1MRGPRX4LMNA
Hydrochloric Acid SCHEMBL5091274 0.75 P2RX4 (0.53) P2RX4
SCHEMBL6942080 0.75 RORC (0.40) RORCP2RX4CYP19A1MRGPRX4LMNA
SCHEMBL5099764 0.75 MET (0.46) P2RX4CYP19A1MRGPRX4LMNAPPIA
SCHEMBL7076172 0.73 MEN1 (0.45) P2RX4CYP19A1MRGPRX4LMNAPPIA
SCHEMBL7561577 0.73 CYP19A1 (0.42) RORCP2RX4CYP19A1MRGPRX4LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425641-B2 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-09-16 US disclosed
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-03-24 US disclosed
EP-1206446-B1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-26 EP disclosed
EP-1206446-A1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS Boehringer Ingelheim Pharma KG (DE) 2002-05-22 EP disclosed
WO-2001010823-A1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-02-15 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-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F12, F11, F2 RORC 2118/4885P2RX4 2362/4885CYP19A1 89/4885

“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.