SCHEMBL52326

SCHEMBL52326

CN1C(C)(C)CN(c2cc(F)ccc2C#N)S1(O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.38
DPP4 P27487 1/20 0.34
AR P10275 6/20 0.33
AMPD2 Q01433 2/20 0.33
SLC22A12 Q96S37 4/20 0.33
PLA2G7 Q13093 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL52325 0.85 FFAR4 (0.38) FFAR4DPP4ARAMPD2PLA2G7
SCHEMBL51440 0.79 FFAR4 (0.37) FFAR4DPP4ARAMPD2
SCHEMBL51361 0.78 AR (0.40) ARAMPD2SLC22A12
SCHEMBL51386 0.76 AMPD2 (0.38) AMPD2HDAC1HDAC6
SCHEMBL51441 0.74 FFAR4 (0.37) FFAR4DPP4ARAMPD2PLA2G7
SCHEMBL12215850 0.71 FFAR4 (0.39) FFAR4DPP4AR
SCHEMBL29817937 0.71 ALDH1A1 (0.55) FFAR4
SCHEMBL51360 0.69 AR (0.42) ARAMPD2SLC22A12PLA2G7
SCHEMBL2528586 0.66 FFAR4 (0.39) FFAR4
SCHEMBL16052048 0.66 FFAR4 (0.38) FFAR4AR

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 4792/4885DPP4 1850/4885AR 2036/4885

“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.