SCHEMBL2261955

SCHEMBL2261955

COc1cc(C)c(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ P2RY1 P47900 2/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ S1PR2 O95136 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ BRAF P15056 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
SCHEMBL2261260 0.90 NPC1 (0.51) KMT2AMAPTLMNARAB9AALDH1A1
SCHEMBL2257528 0.90 POLB (0.46) TGFBR1KMT2AMAPTP2RY1RAB9A
SCHEMBL2255376 0.90 KMT2A (0.47) TGFBR1KMT2AMAPTRXFP1P2RY1
SCHEMBL2259796 0.89 TP53 (0.47) KMT2AMAPTLMNARAB9ATP53
SCHEMBL2259720 0.88 TGFBR1 (0.45) TGFBR1MAPTLMNAP2RY1ALDH1A1
SCHEMBL2257398 0.88 RBP4 (0.51) KMT2AMAPTLMNATP53ALDH1A1
SCHEMBL2260447 0.88 RAB9A (0.54) KMT2AMAPTLMNARAB9ATP53
SCHEMBL2255882 0.88 ALDH1A1 (0.53) KMT2AMAPTLMNARAB9AALDH1A1
SCHEMBL15707237 0.88 ALDH1A1 (0.43) TGFBR1KMT2AMAPTLMNAP2RY1
SCHEMBL2257170 0.88 MAPT (0.44) TGFBR1MAPTLMNAP2RY1RAB9A

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 8 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-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US 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
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — US disclosed
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 — — 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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 TGFBR1 481/4885KMT2A 3296/4885MAPT 4713/4885

“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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