Sugi Predict

Sugi Predict / Compounds / SCHEMBL1669200

SCHEMBL1669200

SCHEMBL1669200

CC1(C)OCCn2c1nc(-c1nnc(Cc3ccc(F)cc3)o1)c(O)c2=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ TP53 P04637 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ APLNR P35414 4/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MAPT P10636 4/20 0.35
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ USP2 O75604 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RIPK1 Q13546 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31

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
SCHEMBL1669100 0.85 ALDH1A1 (0.33) LMNAUSP2TSHRALDH1A1
SCHEMBL12225704 0.84 APLNR (0.37) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL1669797 0.83 MAPT (0.37) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL12198983 0.82 NPC1 (0.38) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL1669239 0.81 ADORA2A (0.32) HPGD
SCHEMBL1669094 0.81 ALDH1A1 (0.33) TP53HPGDUSP2TSHRALDH1A1
SCHEMBL1669470 0.79 ALDH1A1 (0.37) NPC1RAB9AHPGDSMN1; SMN2NPSR1
SCHEMBL1672314 0.79 CYP1A2 (0.33) HPGDSMN1; SMN2LMNAUSP2TSHR
SCHEMBL12198932 0.78 CYP3A4 (0.31) ALDH1A1
SCHEMBL1669226 0.78 XIAP (0.32) USP2TSHRALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 — — US claimed
EP-2488517-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2012-08-22 — — EP claimed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 — — US claimed
WO-2011046873-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-21 — — WO claimed
US-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 — — US disclosed
US-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 — — US disclosed
EP-2488517-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2012-08-22 — — EP disclosed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 — — US disclosed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 — — US disclosed
WO-2011046873-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-21 — — WO disclosed
WO-2011046873-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-21 — — 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-20110245241-A1 HIV Integrase Inhibitors DNTT, POLB, UNG NPC1 463/4885RAB9A 3210/4885TP53 1122/4885

“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.