SCHEMBL2255376

SCHEMBL2255376

COc1ccc(C)c(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ TGFBR1 P36897 1/20 0.44
▸ MAPT P10636 5/20 0.43
▸ TP53 P04637 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ P2RY1 P47900 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ S1PR2 O95136 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MGAT2 Q10469 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ MAPK3 P27361 1/20 0.41
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL2257528 0.93 POLB (0.46) KMT2APOLBTGFBR1MAPTTP53
SCHEMBL2263610 0.93 POLB (0.50) KMT2APOLBTGFBR1MAPTTP53
SCHEMBL2255882 0.91 ALDH1A1 (0.53) KMT2APOLBMAPTSMN1; SMN2RAB9A
SCHEMBL14177233 0.91 KMT2A (0.47) KMT2APOLBTGFBR1MAPTTP53
SCHEMBL2254886 0.91 ALDH1A1 (0.47) TGFBR1MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL15707237 0.91 ALDH1A1 (0.43) KMT2APOLBTGFBR1MAPTTP53
SCHEMBL2259720 0.90 TGFBR1 (0.45) POLBTGFBR1MAPTSMN1; SMN2P2RY1
SCHEMBL2257463 0.90 KMT2A (0.46) KMT2APOLBTGFBR1MAPTSMN1; SMN2
SCHEMBL2257711 0.90 MAPT (0.45) TGFBR1MAPTTP53SMN1; SMN2P2RY1
SCHEMBL2261955 0.90 TGFBR1 (0.42) KMT2APOLBTGFBR1MAPTTP53

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 7 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

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 KMT2A 3296/4885POLB 4506/4885TGFBR1 481/4885

“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