SCHEMBL410534

SCHEMBL410534

CCc1ccc(-c2cc(C(=O)O)cnc2OCC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.49
▸ CNR1 P21554 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ RXRA P19793 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ ABL1 P00519 2/20 0.41
▸ SLC22A12 Q96S37 1/20 0.40
▸ RORA P35398 1/20 0.40
▸ RORC P51449 1/20 0.40
▸ KDM2B Q8NHM5 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ RXRB P28702 2/20 0.39
▸ GPBAR1 Q8TDU6 1/20 0.38

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
SCHEMBL15670295 0.86 L3MBTL1 (0.52) PTGS2CNR1L3MBTL1RXRASMN1; SMN2
SCHEMBL440662 0.85 CNR1 (0.62) PTGS2CNR1L3MBTL1
SCHEMBL411514 0.82 PTGDR2 (0.47) PTGS2CNR1L3MBTL1SLC22A12RORA
SCHEMBL412338 0.82 CNR1 (0.48) PTGS2CNR1L3MBTL1RXRASLC22A12
SCHEMBL2127732 0.81 CNR1 (0.50) PTGS2CNR1L3MBTL1RXRASLC22A12
SCHEMBL412159 0.81 CNR1 (0.48) PTGS2CNR1L3MBTL1RXRARORA
SCHEMBL15670125 0.80 CNR1 (0.48) PTGS2CNR1L3MBTL1ALDH1A1ABL1
SCHEMBL2715678 0.79 L3MBTL1 (0.52) PTGS2CNR1L3MBTL1RXRAALDH1A1
SCHEMBL411066 0.79 CNR1 (0.48) PTGS2CNR1L3MBTL1RORARORC
SCHEMBL412176 0.79 CNR1 (0.53) PTGS2CNR1L3MBTL1RORARORC

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 — — EP disclosed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 — — EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 — — US disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 — — US disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 — — US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 — — US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 — — US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 — — US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 — — US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 — — US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 — — US disclosed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 — — EP disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 — — US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 — — US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 — — US disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 — — WO disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 — — 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 (2 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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR PTGS2 2497/4885CNR1 269/4885L3MBTL1 586/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR PTGS2 2497/4885CNR1 269/4885L3MBTL1 586/4885

“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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