SCHEMBL51440

SCHEMBL51440

CC1(C)CN(c2cc(F)ccc2C#N)S(O)(O)N1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.37
AR P10275 5/20 0.32
DPP4 P27487 1/20 0.31
PARP1 P09874 1/20 0.31
TNK1 Q13470 1/20 0.31
AMPD2 Q01433 2/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR7 P34969 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
SCHEMBL51441 0.85 FFAR4 (0.37) FFAR4ARDPP4PARP1TNK1
SCHEMBL52326 0.79 FFAR4 (0.38) FFAR4ARDPP4AMPD2
SCHEMBL52325 0.73 FFAR4 (0.38) FFAR4ARDPP4AMPD2
SCHEMBL12215850 0.67 FFAR4 (0.39) FFAR4ARDPP4
SCHEMBL29817937 0.66 ALDH1A1 (0.55) FFAR4PARP1TNK1
SCHEMBL2528586 0.64 FFAR4 (0.39) FFAR4PARP1TNK1
SCHEMBL29956185 0.64 FFAR4 (0.38) FFAR4AR
SCHEMBL16052048 0.64 FFAR4 (0.38) FFAR4AR
SCHEMBL17871934 0.64 AR (0.51) FFAR4ARPARP1TNK1
SCHEMBL8182535 0.63 ALDH1A1 (0.56) FFAR4PARP1TNK1HTR1ADRD2

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
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
EP-2280981-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 EP disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG FFAR4 4792/4885AR 2036/4885DPP4 1850/4885

“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.