SCHEMBL3243181

SCHEMBL3243181

Cc1cc(C(=O)O)nc(C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 8/20 0.46
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
TTR P02766 4/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
PPARG P37231 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL21200560 0.81 RBP4 (0.49) RBP4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2393871 0.78 CYP1A2 (0.47) ALDH1A1SMN1; SMN2MAPK1KDM4EGAA
SCHEMBL18158113 0.78 SORT1 (0.44) RBP4ALDH1A1SMN1; SMN2TTRKDM4E
SCHEMBL18924931 0.77 ALOX15 (0.37) RBP4ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL17542084 0.77 MRGPRX4 (0.41) RBP4ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL6120764 0.77 ALOX15 (0.37) RBP4ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL17542095 0.77 TDP1 (0.60) RBP4ALDH1A1MAPK1KDM4EALOX15
SCHEMBL11981453 0.77 HSP90AA1 (0.46) ALDH1A1KDM4ETSHR
SCHEMBL23023554 0.77 CBLB (0.45)
SCHEMBL27894372 0.75 RBP4 (0.35) RBP4ALDH1A1SMN1; SMN2KDM4EGAA

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 EP claimed
US-20220324835-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. 2022-10-13 US disclosed
EP-3186224-B1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS HOFFMANN LA ROCHE (CH) 2021-04-21 EP disclosed
EP-3743063-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF Nurix Therapeutics, Inc. (US) 2020-12-02 EP disclosed
CN-106715395-B 6-amino-5, 6, 7, 8-tetrahydronaphthalen-2-yl or 3-aminochroman-7-yl derivatives as TAAR modulators 豪夫迈·罗氏有限公司 2020-05-12 CN disclosed
CN-107001259-B Substituted azetidine derivatives as TAAR ligands 豪夫迈·罗氏有限公司 2019-12-06 CN disclosed
WO-2019148005-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. (US) 2019-08-01 WO disclosed
US-10316036-B2 Substituted pyrazino[2,2-a]isoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2019-06-11 US disclosed
EP-3174853-B1 6-AMINO-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL OR 3-AMINOCHROMAN-7-YL DERIVATIVES AS TAAR MODULATORS HOFFMANN LA ROCHE (CH) 2018-12-12 EP disclosed
US-10023559-B2 Substituted azetidine derivatives HOFFMAN-LA ROCHE INC. (US) 2018-07-17 US disclosed
WO-2015165085-A1 MORPHOLIN-PYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2015-11-05 WO disclosed
CN-102985417-B Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE CORP 2015-01-28 CN disclosed
CN-101379022-B Benzamide and heteroarene derivatives HOFFMANN LA ROCHE 2013-05-01 CN disclosed
CN-102985417-A Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE CORP 2013-03-20 CN disclosed
EP-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 EP disclosed
US-7745477-B2 Heteroaryl and benzyl amide compounds HOFFMAN-LA ROCHE INC. (US) 2010-06-29 US disclosed
CN-101379022-A Benzamide and heteroarene derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed
EP-1984322-A1 BENZAMIDE AND HETEROARENE DERIVATIVES F. Hoffmann-la Roche AG (CH) 2008-10-29 EP disclosed
WO-2007090748-A1 BENZAMIDE AND HETEROARENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-20070185058-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 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 (4 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-10023559-B2 Substituted azetidine derivatives HTR1B, MTNR1B, DRD2 RBP4 2402/4885ALDH1A1 181/4885SMN1; SMN2 1381/4885
US-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 RBP4 4053/4885ALDH1A1 986/4885SMN1; SMN2 3650/4885
US-20220324835-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF CBLB, CBL, CBLC RBP4 3275/4885ALDH1A1 4576/4885SMN1; SMN2 2723/4885
US-10316036-B2 Substituted pyrazino[2,2-a]isoquinoline derivatives HCRTR2, HCRTR1, CYP11B2 RBP4 1680/4885ALDH1A1 352/4885SMN1; SMN2 2086/4885

“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.