Sugi Predict

Sugi Predict / Compounds / SCHEMBL51517

SCHEMBL51517

SCHEMBL51517

CCOC(=O)c1nc(N2CCC(COS(C)(=O)=O)CC2)n(S(C)(=O)=O)c(=O)c1OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ P2RY12 Q9H244 2/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ ITGB3 P05106 2/20 0.34
▸ ITGAV P06756 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6094824 0.79 DCTPP1 (0.41) L3MBTL1KDM4EALDH1A1LMNATSHR
SCHEMBL6086680 0.78 ALDH1A1 (0.41) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL52376 0.77 KDM4E (0.40) L3MBTL1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL6095057 0.74 DPP4 (0.43) CYP3A4CYP2C9KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6095402 0.74 ALDH1A1 (0.50) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL5303358 0.73 ALDH1A1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6094216 0.73 EGFR (0.39) L3MBTL1KMT2AKDM4EALDH1A1LMNA
SCHEMBL6086561 0.73 TSHR (0.40) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL52245 0.72 ROCK2 (0.33) P2RY12CHRM2CYP3A4CYP2C9DRD3
SCHEMBL4395071 0.71 KDM4E (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3

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
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
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 F2 3156/4885CCR8 3235/4885P2RY12 3473/4885

“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.