SCHEMBL2258030

SCHEMBL2258030

COC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 5/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ TP53 P04637 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KLK6 Q92876 1/20 0.36
▸ CCKBR P32239 4/20 0.36
▸ NMBR P28336 1/20 0.35
▸ GRPR P30550 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.35

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
SCHEMBL2258036 1.00 TACR1 (0.39) TACR1TGFBR1TP53MAPTSMN1; SMN2
SCHEMBL2259904 0.84 MAPT (0.45) TGFBR1TP53MAPTSMN1; SMN2LMNA
SCHEMBL2263324 0.83 MAPT (0.50) MAPT
SCHEMBL2254827 0.83 MAPT (0.59) TACR1TP53MAPTSMN1; SMN2LMNA
SCHEMBL2258570 0.78 MTNR1A (0.49) MAPT
SCHEMBL2260465 0.76 KMT2A (0.50) TP53MAPTSMN1; SMN2LMNATHRB
SCHEMBL2260468 0.76 KMT2A (0.50) TP53MAPTSMN1; SMN2LMNATHRB
SCHEMBL2258149 0.75 TGFBR1 (0.46) TGFBR1
SCHEMBL2257815 0.75 TRPV1 (0.44) TGFBR1
SCHEMBL12361506 0.75 TGFBR1 (0.49) TGFBR1SMN1; SMN2LMNA

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-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 — — EP disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — 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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 TACR1 353/4885TGFBR1 481/4885TP53 4361/4885

“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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