SCHEMBL1993610

SCHEMBL1993610

C[C@H](C(=O)O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.66
AKR1C2 P52895 8/20 0.66
PTGS1 P23219 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 2/20 0.54
CXCR1 P25024 2/20 0.54
CXCR2 P25025 2/20 0.54
PTGS2 P35354 2/20 0.54
KDM4E B2RXH2 2/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
PMP22 Q01453 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CXCL8 P10145 1/20 0.54
THPO P40225 1/20 0.54

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
SCHEMBL1760202 1.00 AKR1C3 (0.66) AKR1C3AKR1C2PTGS1SMN1; SMN2MAPT
SCHEMBL27483949 0.88 CES2 (0.55) AKR1C3AKR1C2SMN1; SMN2KDM4EALDH1A1
SCHEMBL377074 0.85 AURKA (0.57) AKR1C3AKR1C2CES2ACP3NPSR1
SCHEMBL14983791 0.85 CES2 (0.53) AKR1C3AKR1C2SMN1; SMN2KDM4EALDH1A1
SCHEMBL7357616 0.84 PTGS1 (0.56) AKR1C3AKR1C2PTGS1SMN1; SMN2MAPT
SCHEMBL28423546 0.84 CES2 (0.60) AKR1C3AKR1C2PTGS1SMN1; SMN2MAPT
SCHEMBL4445388 0.83 CES2 (0.55) AKR1C3AKR1C2SMN1; SMN2KDM4EALDH1A1
SCHEMBL5791155 0.83 AKR1C3 (0.70) AKR1C3AKR1C2PTGS2
SCHEMBL6270587 0.83 AKR1C3 (0.63) AKR1C3AKR1C2PTGS2
SCHEMBL3145951 0.83 PTGS1 (0.54) AKR1C3AKR1C2PTGS1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 EP disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 US disclosed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 US disclosed
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 US disclosed
US-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 US disclosed
CN-105254623-A SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE 2016-01-20 CN disclosed
EP-2516392-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-31 EP disclosed
CN-102686563-A Substituted benzamide derivatives HOFFMANN LA ROCHE 2012-09-19 CN disclosed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 WO disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 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 (5 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-20160264596-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R AKR1C3 515/4885AKR1C2 399/4885PTGS1 2539/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R AKR1C3 515/4885AKR1C2 399/4885PTGS1 2539/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R AKR1C3 515/4885AKR1C2 399/4885PTGS1 2539/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R AKR1C3 515/4885AKR1C2 399/4885PTGS1 2539/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R AKR1C3 515/4885AKR1C2 399/4885PTGS1 2539/4885

“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.