SCHEMBL2260447

SCHEMBL2260447

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ LMNA P02545 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ TP53 P04637 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ S1PR2 O95136 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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) RAB9ANPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL2257528 0.91 POLB (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2263610 0.91 POLB (0.50) RAB9ANPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL14177233 0.90 KMT2A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2255376 0.90 KMT2A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2257833 0.89 TAS1R3 (0.48) RAB9ANPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL2261260 0.89 NPC1 (0.51) RAB9ANPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL2257398 0.88 RBP4 (0.51) LMNASMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL2261955 0.88 TGFBR1 (0.42) RAB9ANPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL2257835 0.87 KMT2A (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A

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 RAB9A 1352/4885NPC1 108/4885LMNA 2267/4885

“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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