SCHEMBL52448

SCHEMBL52448

CC(C)(C)OC(=O)NCc1ccc(F)c(C2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.44
NAMPT P43490 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
IGF1R P08069 1/20 0.42
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
KDM4A O75164 1/20 0.40
HDAC1 Q13547 1/20 0.40
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
GLS O94925 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL970934 0.92 ALDH1A1 (0.42) GRM2NAMPTGAAL3MBTL1IGF1R
Hydrochloric Acid SCHEMBL16564426 0.91 ALDH1A1 (0.41) GRM2NAMPTGAAL3MBTL1IGF1R
Acetic Acid SCHEMBL974712 0.89 ALDH1A1 (0.40) GRM2NAMPTGAAL3MBTL1IGF1R
SCHEMBL27679076 0.87 DRD4 (0.39) GRM2NAMPTHDAC1TSHR
SCHEMBL974713 0.87 NAMPT (0.39) GRM2NAMPTGAAL3MBTL1BRD4
SCHEMBL24619900 0.85 IGF1R (0.48) GRM2NAMPTGAAL3MBTL1IGF1R
SCHEMBL29769069 0.83 GRM2 (0.49) GRM2NAMPTGAAL3MBTL1KDM4A
SCHEMBL24999627 0.83 GRM2 (0.49) GRM2NAMPTGAAL3MBTL1KDM4A
SCHEMBL10165058 0.81 ALDH1A1 (0.51) GRM2
SCHEMBL3688009 0.80 HDAC1 (0.48) GRM2NAMPTGAAL3MBTL1KDM4A

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 10 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
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 GRM2 4833/4885NAMPT 625/4885GAA 195/4885

“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.