SCHEMBL52019

SCHEMBL52019

COc1ccc(CN2C(C)(C)CNS2(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.47
ALOX12 P18054 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 2/20 0.45
CMA1 P23946 1/20 0.44
BLM P54132 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
CHKA P35790 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
APAF1 O14727 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 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
SCHEMBL963383 0.70 MEN1 (0.49) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL52394 0.69 LMNA (0.42) ALOX12MAPTCMA1KDM4ESMN1; SMN2
SCHEMBL14687374 0.68 GAA (0.57) ALOX12ALDH1A1MEN1KMT2AMAPT
SCHEMBL20303778 0.68 LMNA (0.57) ALOX12ALDH1A1MEN1KMT2AMAPT
SCHEMBL7928518 0.67 CMA1 (0.53) ALOX12ALDH1A1MEN1KMT2AMAPT
SCHEMBL27626502 0.67 CMA1 (0.45) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL1731147 0.67 MEN1 (0.49) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL1126479 0.67 GAA (0.46) ALOX12ALDH1A1MEN1KMT2AMAPT
SCHEMBL30841979 0.67 MEN1 (0.46) ALOX12ALDH1A1MEN1KMT2AMAPT
SCHEMBL11813133 0.66 SIGMAR1 (0.47) ALOX12ALDH1A1MEN1KMT2AMAPT

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 HTR5A 4251/4885ALOX12 3682/4885ALDH1A1 539/4885

“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.