SCHEMBL13404376

SCHEMBL13404376

Cc1cc(C(F)(F)F)cc(S(=O)(=O)NCC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 1/20 0.39
CYP19A1 P11511 1/20 0.38
KMT2A Q03164 1/20 0.37
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
GPBAR1 Q8TDU6 2/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL12285528 0.85 CA12 (0.45) CA1CA2CA12CA9ALDH1A1
SCHEMBL17277472 0.81 CYP3A4 (0.44) CA1CA2ALDH1A1POLBRECQL
SCHEMBL13188852 0.81 ALDH1A1 (0.50) CA1CA2ALDH1A1POLBRECQL
SCHEMBL25737834 0.80 FFAR1 (0.42) CA1CA2GAAKMT2APSEN1
SCHEMBL13404369 0.79 GAA (0.49) CA12CA9ALDH1A1POLBGAA
SCHEMBL26430427 0.79 FFAR1 (0.41) CA1CA2POLBGAAKMT2A
SCHEMBL16385077 0.78 CA1 (0.46) CA1CA2CA12CA9ALDH1A1
SCHEMBL17359124 0.78 CA1 (0.58) CA1CA2GAAPSEN1PSEN2
SCHEMBL26430459 0.75 PSEN1 (0.39) CA1CA2POLBGAAKMT2A
SCHEMBL13742883 0.74 TP53 (0.41) CA1CA2ALDH1A1POLBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 US disclosed
US-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 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-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY PRLHR, AVPR2, CRHR2 CA1 4327/4885CA2 2254/4885CA12 4420/4885

“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.