SCHEMBL2193955

SCHEMBL2193955

Cc1ccncc1S(=O)(=O)n1cc(CN(C)C(=O)O)c(F)c1-c1cccnc1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.33
GPBAR1 Q8TDU6 2/20 0.32
HTR6 P50406 1/20 0.32
NAMPT P43490 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DHODH Q02127 1/20 0.30
ATR Q13535 1/20 0.30

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
SCHEMBL1830820 0.89 GPBAR1 (0.32) TACR1GPBAR1
SCHEMBL1830821 0.88 GPBAR1 (0.30) TACR1GPBAR1SLC22A12
SCHEMBL2193980 0.88 DHODH (0.32) NAMPTDHODH
SCHEMBL2413180 0.86 HTR6 (0.37) HTR6NAMPTSMN1; SMN2
SCHEMBL2195605 0.85 TACR1 (0.32) TACR1DHODH
SCHEMBL5005958 0.85 TP53 (0.32)
SCHEMBL2193959 0.85 NAMPT (0.33) GPBAR1HTR6NAMPTATR
SCHEMBL2414996 0.85 EDNRB (0.32) DHODH
SCHEMBL5006221 0.84 DCTPP1 (0.32) DHODH
SCHEMBL2194090 0.84 PTGDR2 (0.33) HTR6NAMPTSMN1; SMN2DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993598-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-31 US disclosed
US-8969387-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-03 US disclosed
US-20140031393-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-30 US disclosed
US-8592597-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
EP-2318390-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-05-01 EP disclosed
US-20110172275-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
WO-2010024451-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 WO disclosed
US-20100056577-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 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 (3 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-20100056577-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S TACR1 136/4885GPBAR1 2510/4885HTR6 233/4885
US-20140031393-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S TACR1 136/4885GPBAR1 2510/4885HTR6 233/4885
US-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S TACR1 136/4885GPBAR1 2510/4885HTR6 233/4885

“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.