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Sugi Predict / Compounds / SCHEMBL3625624

SCHEMBL3625624

SCHEMBL3625624

COc1cccc(CC(=O)N2CCCCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc32)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ LMNA P02545 2/20 0.49
▸ RIPK1 Q13546 5/20 0.48
▸ NR1H3 Q13133 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ EIF2AK3 Q9NZJ5 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ PTGER4 P35408 1/20 0.45
▸ PTGER2 P43116 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL13317279 0.93 ALDH1A1 (0.52) ALDH1A1LMNARIPK1SMN1; SMN2RAB9A
SCHEMBL3626490 0.92 ALDH1A1 (0.52) ALDH1A1LMNARIPK1NR1H3SMN1; SMN2
SCHEMBL3623850 0.91 ALDH1A1 (0.61) ALDH1A1LMNANR1H3SMN1; SMN2RAB9A
SCHEMBL3618184 0.88 POLB (0.49) ALDH1A1LMNARIPK1NR1H3EIF2AK3
SCHEMBL3626787 0.87 NR1H3 (0.49) ALDH1A1LMNARIPK1NR1H3SMN1; SMN2
SCHEMBL3621272 0.86 NR1H3 (0.58) ALDH1A1LMNANR1H3SMN1; SMN2RAB9A
SCHEMBL3625550 0.86 NR1H3 (0.48) ALDH1A1LMNARIPK1NR1H3EIF2AK3
SCHEMBL3620198 0.83 NR1H3 (0.49) ALDH1A1LMNARIPK1NR1H3SMN1; SMN2
SCHEMBL3624100 0.83 NR1H3 (0.51) ALDH1A1LMNARIPK1NR1H3SMN1; SMN2
SCHEMBL3626517 0.83 ALDH1A1 (0.48) ALDH1A1LMNARIPK1NR1H3SMN1; SMN2

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
EP-1951676-B1 N-ACYL BENZAZEPINE DERIVATIVES AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-07-17 — — EP disclosed
EP-2392567-A1 BENZOTHIAZINE DERIVATIVES AND THEIR USE AS LXR MODULATORS Bristol-Myers Squibb Company (US) 2011-12-07 — — EP disclosed
US-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 — — US disclosed
US-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 — — US disclosed
US-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 — — US disclosed
EP-1951676-A2 LXR MODULATORS Brystol-Myers Squibb Company (US) 2008-08-06 — — EP disclosed
WO-2007050425-A2 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 — — WO disclosed
WO-2007050425-A2 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 — — WO disclosed
US-20070093470-A1 LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 — — US disclosed
US-20070093470-A1 LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 — — US disclosed
US-20070093470-A1 LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 — — US 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-20070093470-A1 LXR modulators NR1H2, NR1H3, RXRB ALDH1A1 2274/4885LMNA 784/4885RIPK1 2419/4885

“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.