SCHEMBL52700

SCHEMBL52700

N#CC1(NC(=O)OCc2ccccc2)CCCC(CCl)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.47
CTSB P07858 5/20 0.47
CTSS P25774 4/20 0.47
PREP P48147 4/20 0.44
CTSK P43235 4/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.40
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
EPHX1 P07099 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL52043 0.87 CTSS (0.48) CTSLCTSBCTSSPREPCTSK
SCHEMBL87346 0.84 CTSL (0.47) CTSLCTSBCTSSPREPCTSK
SCHEMBL13657355 0.82 CTSL (0.46) CTSLCTSBCTSSPREPCTSK
SCHEMBL9900827 0.81 CTSL (0.63) CTSLCTSBCTSSPREPCTSK
SCHEMBL1018180 0.80 CTSL (0.57) CTSLCTSBCTSSPREPCTSK
SCHEMBL62133 0.79 CTSS (0.49) CTSLCTSBCTSSPREPCTSK
SCHEMBL87370 0.78 CTSS (0.51) CTSLCTSBCTSSPREPCTSK
SCHEMBL30117973 0.76 CTSL (0.53) CTSLCTSBCTSSPREPCTSK
SCHEMBL51947 0.74 CTSL (0.42) CTSLCTSBCTSSPREPCTSK
SCHEMBL86626 0.73 CTSB (0.46) CTSLCTSBCTSSPREPCTSK

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 8 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
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 CTSL 3453/4885CTSB 2999/4885CTSS 3030/4885

“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.