Sugi Predict

Sugi Predict / Compounds / SCHEMBL52549

SCHEMBL52549

SCHEMBL52549

CN(CC1CCCO1)C(=O)C(=O)N(C)C12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.47
▸ KCNH2 Q12809 1/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ KCNE1 P15382 1/20 0.35
▸ CCR1 P32246 1/20 0.35

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
SCHEMBL53118 0.92 CYP2C9 (0.39) CYP2C9KCNH2RXFP1ALDH1A1KDM4E
SCHEMBL52541 0.88 CYP2C9 (0.46) CYP2C9KCNH2RXFP1ALDH1A1KDM4E
SCHEMBL53197 0.87 CYP2C9 (0.58) CYP2C9KCNH2TSHRMAPK1LMNA
SCHEMBL52218 0.85 CYP2C9 (0.48) CYP2C9KCNH2TSHRMAPK1LMNA
SCHEMBL52210 0.84 KCNH2 (0.51) CYP2C9KCNH2TSHRMAPK1LMNA
SCHEMBL52222 0.84 KCNH2 (0.54) CYP2C9KCNH2TSHRMAPK1LMNA
SCHEMBL52108 0.84 CYP2C9 (0.54) CYP2C9KCNH2ALDH1A1LMNAMEN1
SCHEMBL418770 0.83 CYP2C9 (0.49) CYP2C9KCNH2LMNAMEN1KMT2A
SCHEMBL415591 0.83 CYP2C9 (0.56) CYP2C9KCNH2TSHRMAPK1LMNA
SCHEMBL52165 0.81 CYP2C9 (0.44) CYP2C9KCNH2ALDH1A1HSD17B10MEN1

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 CYP2C9 602/4885KCNH2 3969/4885RXFP1 4834/4885

“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.