SCHEMBL3626992

SCHEMBL3626992

CC(C)C(=O)N1CCSCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 9/20 0.42
▸ NR1H2 P55055 6/20 0.42
▸ NOTUM Q6P988 1/20 0.40
▸ RORC P51449 12/20 0.39
▸ NR1I2 O75469 4/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CYP11B1 P15538 1/20 0.36
▸ MLYCD O95822 1/20 0.36

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
SCHEMBL3626261 0.82 RORC (0.53) NR1H3NR1H2NOTUMRORCNR1I2
SCHEMBL11610638 0.81 NR1H3 (0.54) NR1H3NR1H2NOTUMRORCNR1I2
SCHEMBL3628349 0.80 MLYCD (0.44) NR1H3NR1H2NOTUMRORCNR1I2
SCHEMBL3618022 0.78 ALDH1A1 (0.46) NR1H3NR1H2RORCALDH1A1CYP11B1
SCHEMBL3623987 0.73 NOTUM (0.45) NR1H3NR1H2NOTUMRORCNR1I2
SCHEMBL3628359 0.71 RORC (0.44) NR1H3NR1H2RORCNR1I2MLYCD
SCHEMBL26763830 0.71 NOTUM (0.61) NOTUMNPC1USP2ALDH1A1MAPT
SCHEMBL3624227 0.70 RORC (0.48) NR1H3NR1H2RORCNR1I2MAPT
SCHEMBL3624229 0.70 RORC (0.48) NR1H3NR1H2RORCNR1I2MAPT
SCHEMBL3626532 0.70 NR1H3 (0.56) NR1H3NR1H2NOTUMRORCNR1I2

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-2392567-B1 BENZOTHIAZINE DERIVATIVES AND THEIR USE AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 — — EP disclosed
EP-2392567-B1 BENZOTHIAZINE DERIVATIVES AND THEIR USE AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 — — EP disclosed
EP-2392567-A1 BENZOTHIAZINE DERIVATIVES AND THEIR USE AS LXR MODULATORS Bristol-Myers Squibb Company (US) 2011-12-07 — — 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
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 NR1H3 2/4885NR1H2 1/4885NOTUM 3248/4885

“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.

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