Sugi Predict

Sugi Predict / Compounds / SCHEMBL51947

SCHEMBL51947

SCHEMBL51947

N#CC1(NC(=O)OCc2ccccc2)COC(CCCl)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.42
▸ CTSB P07858 3/20 0.42
▸ CTSS P25774 2/20 0.42
▸ CYP3A4 P08684 8/20 0.39
▸ TSHR P16473 7/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CTSK P43235 2/20 0.39
▸ CYP2C9 P11712 6/20 0.39
▸ CYP2C19 P33261 5/20 0.39
▸ PREP P48147 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CYP1A2 P05177 4/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL87763 0.90 CTSL (0.44) CTSLCTSBCTSSCYP3A4SMN1; SMN2
SCHEMBL52526 0.81 CTSB (0.46) CTSLCTSBCTSSTSHRALDH1A1
SCHEMBL52527 0.81 CTSB (0.46) CTSLCTSBCTSSTSHRALDH1A1
SCHEMBL86626 0.81 CTSB (0.46) CTSLCTSBCTSSTSHRALDH1A1
SCHEMBL87860 0.78 NPC1 (0.40) CTSLCTSBCTSSCYP3A4TSHR
SCHEMBL1018180 0.77 CTSL (0.57) CTSLCTSBCTSSALDH1A1SMN1; SMN2
SCHEMBL52043 0.75 CTSS (0.48) CTSLCTSBCTSSTSHRALDH1A1
SCHEMBL52700 0.74 CTSL (0.47) CTSLCTSBCTSSCYP3A4TSHR
SCHEMBL9900827 0.74 CTSL (0.63) CTSLCTSBCTSSALDH1A1CTSK
SCHEMBL13691658 0.73 CTSB (0.39) CTSLCTSBCTSSALDH1A1CTSK

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 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.