SCHEMBL2263610

SCHEMBL2263610

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ TP53 P04637 3/20 0.46
▸ TGFBR1 P36897 1/20 0.45
▸ BRAF P15056 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ S1PR2 O95136 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ P2RY1 P47900 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL2255882 0.93 ALDH1A1 (0.53) POLBKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL2255376 0.93 KMT2A (0.47) POLBKMT2ATP53TGFBR1ALDH1A1
SCHEMBL14177233 0.93 KMT2A (0.47) POLBKMT2ATP53TGFBR1ALDH1A1
SCHEMBL2257528 0.91 POLB (0.46) POLBKMT2ATP53TGFBR1ALDH1A1
SCHEMBL2260447 0.91 RAB9A (0.54) POLBKMT2ATP53ALDH1A1SMN1; SMN2
SCHEMBL2259440 0.90 TGFBR1 (0.44) POLBKMT2ATGFBR1ALDH1A1SMN1; SMN2
SCHEMBL15706879 0.90 RAB9A (0.49) POLBKMT2ATGFBR1ALDH1A1RAB9A
SCHEMBL2256579 0.89 ALDH1A1 (0.49) POLBKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL2257835 0.89 KMT2A (0.49) POLBKMT2ATP53TGFBR1ALDH1A1
SCHEMBL2256462 0.88 TGFBR1 (0.47) POLBKMT2ATGFBR1ALDH1A1SMN1; SMN2

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 POLB 4506/4885KMT2A 3296/4885TP53 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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