Sugi Predict

Sugi Predict / Compounds / SCHEMBL1669470

SCHEMBL1669470

SCHEMBL1669470

CC1(C)OCCn2c1nc(-c1ncc(Cc3ccc(F)cc3)s1)c(O)c2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ CYP1A2 P05177 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ TSHR P16473 3/20 0.33

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
SCHEMBL12225286 0.85 SMN1; SMN2 (0.34) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL1669100 0.84 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL1669342 0.84 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL13218316 0.83 SMN1; SMN2 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL13218315 0.83 SMN1; SMN2 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL12198981 0.82 SMN1; SMN2 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL13218317 0.82 SMN1; SMN2 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL13218320 0.82 SMN1; SMN2 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL1672314 0.82 CYP1A2 (0.33) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL1669226 0.81 XIAP (0.32) ALDH1A1MEN1KMT2ACYP1A2CYP3A4

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 ALDH1A1 539/4885MEN1 4650/4885KMT2A 1339/4885

“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.