SCHEMBL3623348

SCHEMBL3623348

CCC1CN(C(=O)CCCOc2ccccc2)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2S1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 2/20 0.44
▸ RORC P51449 10/20 0.43
▸ MAPT P10636 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ NR1H3 Q13133 9/20 0.42
▸ NR1I2 O75469 7/20 0.42
▸ NR1H2 P55055 5/20 0.42
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ MLYCD O95822 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3623345 1.00 LMNA (0.44) LMNAGAARORCMAPTTHRB
SCHEMBL3625757 0.90 MLYCD (0.47) LMNAGAARORCMAPTTHRB
SCHEMBL3625760 0.90 MLYCD (0.47) LMNAGAARORCMAPTTHRB
SCHEMBL3617834 0.85 MLYCD (0.46) LMNAGAARORCMAPTTHRB
SCHEMBL3617833 0.85 MLYCD (0.46) LMNAGAARORCMAPTTHRB
SCHEMBL3625401 0.83 RORC (0.46) LMNAGAARORCMAPTTHRB
SCHEMBL3625398 0.83 RORC (0.46) LMNAGAARORCMAPTTHRB
SCHEMBL3627243 0.82 FAAH (0.43) LMNAGAARORCMAPTTHRB
SCHEMBL3627248 0.82 FAAH (0.43) LMNAGAARORCMAPTTHRB
SCHEMBL3625672 0.82 RORC (0.48) LMNAGAARORCMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 LMNA 784/4885GAA 3816/4885RORC 66/4885

“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.

Send feedback