Sugi Predict

Sugi Predict / Compounds / SCHEMBL1759907

SCHEMBL1759907

SCHEMBL1759907

CC(C(=O)O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 5/20 0.65
▸ AKR1C3 P42330 6/20 0.51
▸ AKR1C2 P52895 6/20 0.51
▸ AKR1C4 P17516 1/20 0.51
▸ AKR1C1 Q04828 1/20 0.51
▸ PTGS2 P35354 6/20 0.50
▸ MAPT P10636 2/20 0.50
▸ CXCR1 P25024 2/20 0.50
▸ CXCR2 P25025 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ SLC22A6 Q4U2R8 2/20 0.50
▸ GPR139 Q6DWJ6 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ PMP22 Q01453 1/20 0.50

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
SCHEMBL29537690 1.00 PTGS1 (0.65) PTGS1AKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL1991313 1.00 PTGS1 (0.65) PTGS1AKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL27649238 0.86 TRPM8 (0.49) PTGS1GPR139MEN1CYP2D6KMT2A
SCHEMBL6272901 0.84 PTGS2 (0.52) PTGS1AKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL1275951 0.84 CTSA (0.47) PTGS1MAPTGPR139ALDH1A1HPGD
SCHEMBL3668959 0.84 PTGS1 (0.69) PTGS1AKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL761250 0.84 TRPM8 (0.46) PTGS1MAPTGPR139ALDH1A1HPGD
SCHEMBL7472717 0.83 TRPM8 (0.45) PTGS1MAPTGPR139ALDH1A1HPGD
SCHEMBL29392091 0.82 GPR139 (0.46) PTGS1GPR139FFAR1
SCHEMBL17295978 0.82 GPR139 (0.46) PTGS1GPR139FFAR1

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 28 patents — showing the first 20. 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-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 — — EP disclosed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 — — US disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 — — US disclosed
CN-100558698-C Calcium Receptor Active Compounds NPS PHARMA INC (US) 2009-11-11 — — CN disclosed
CN-101312939-A Heterocyclic cetp inhibitors BRISTOL MYERS SQUIBB CO (US) 2008-11-26 — — CN disclosed
CN-1312116-C Calcium Receptor Active Compounds NPS PHARMA INC (US) 2007-04-25 — — CN disclosed
CN-1907949-A Calcium receptor-active compounds NPS PHARMA INC (US) 2007-02-07 — — CN disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 — — US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 — — US disclosed
CN-1534016-A Calcium Receptor Active Compounds NPSҩ�����޹�˾ 2004-10-06 — — CN disclosed
CN-1147459-C Calcium Receptor Active Compounds NPSҩ�����޹�˾ 2004-04-28 — — CN disclosed
CN-1220658-A Calcium Receptor Active Compounds NPS PHARMA INC (US) 1999-06-23 — — CN 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 PTGS1 1253/4885AKR1C3 809/4885AKR1C2 844/4885
US-20160264596-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R PTGS1 2539/4885AKR1C3 515/4885AKR1C2 399/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R PTGS1 2539/4885AKR1C3 515/4885AKR1C2 399/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R PTGS1 2539/4885AKR1C3 515/4885AKR1C2 399/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R PTGS1 2539/4885AKR1C3 515/4885AKR1C2 399/4885

“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.