SCHEMBL52325

SCHEMBL52325

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.38
DPP4 P27487 2/20 0.35
PLA2G7 Q13093 1/20 0.34
AR P10275 8/20 0.33
AMPD2 Q01433 2/20 0.33
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRM5 P41594 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
SCHEMBL52326 0.85 FFAR4 (0.38) FFAR4DPP4PLA2G7ARAMPD2
SCHEMBL12215850 0.78 FFAR4 (0.39) FFAR4DPP4AR
SCHEMBL51441 0.78 FFAR4 (0.37) FFAR4DPP4PLA2G7ARAMPD2
SCHEMBL51360 0.77 AR (0.42) PLA2G7ARAMPD2
SCHEMBL51385 0.76 AMPD2 (0.37) AMPD2
SCHEMBL51440 0.73 FFAR4 (0.37) FFAR4DPP4ARAMPD2
SCHEMBL2528586 0.70 FFAR4 (0.39) FFAR4
SCHEMBL29817937 0.70 ALDH1A1 (0.55) FFAR4
SCHEMBL14492009 0.68 FFAR4 (0.38) FFAR4AR
SCHEMBL51361 0.68 AR (0.40) ARAMPD2CYP2D6

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 9 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
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US 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
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US 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 1850/4885PLA2G7 977/4885

“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.