SCHEMBL2260391

SCHEMBL2260391

Cc1ccc(C)c(CCNC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.43
▸ LMNA P02545 3/20 0.39
▸ TRPV1 Q8NER1 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ P2RX7 Q99572 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ RXRA P19793 2/20 0.36
▸ NR1H2 P55055 2/20 0.36
▸ NR1H3 Q13133 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ P2RY1 P47900 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2259409 0.93 TGFBR1 (0.41) TGFBR1LMNATRPV1SMN1; SMN2HTT
SCHEMBL2255860 0.92 TGFBR1 (0.42) TGFBR1LMNATRPV1P2RX7TP53
SCHEMBL2256572 0.89 ALDH1A1 (0.43) TGFBR1LMNAPKMKDM4EMAPT
SCHEMBL2255354 0.89 TRPV1 (0.46) TGFBR1LMNATRPV1SMN1; SMN2HTT
SCHEMBL2260888 0.87 SMN1; SMN2 (0.46) TGFBR1LMNATRPV1SMN1; SMN2TP53
SCHEMBL2257333 0.86 P2RX7 (0.46) TGFBR1TRPV1P2RX7TSHR
SCHEMBL2257541 0.86 TRPV1 (0.46) TGFBR1LMNATRPV1P2RX7KDM4E
SCHEMBL2263175 0.85 ALDH1A1 (0.46) TGFBR1LMNATP53ALDH1A1NPSR1
SCHEMBL2256384 0.85 TRPV1 (0.42) TGFBR1LMNATRPV1SMN1; SMN2HTT
SCHEMBL2256282 0.85 LMNA (0.49) TGFBR1LMNATRPV1SMN1; SMN2KDM4E

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 TGFBR1 481/4885LMNA 2267/4885TRPV1 1100/4885

“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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