SCHEMBL6628073

SCHEMBL6628073

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
ASPH Q12797 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SORT1 Q99523 3/20 0.40
TACR1 P25103 2/20 0.40
RBP4 P02753 2/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
Hydrochloric Acid SCHEMBL1704717 0.98 ALDH1A1 (0.43) ALDH1A1MAPK1SMN1; SMN2ITGB1ITGA4
Hydrochloric Acid SCHEMBL6474313 0.88 MEN1 (0.45) ALDH1A1MAPK1SMN1; SMN2ITGB1ITGA4
SCHEMBL27764491 0.87 ALDH1A1 (0.42) ALDH1A1ITGB1ITGA4ASPHL3MBTL1
SCHEMBL474007 0.83 ALDH1A1 (0.46) ALDH1A1MAPK1SMN1; SMN2ITGB1ITGA4
SCHEMBL1705205 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2ITGB1ITGA4L3MBTL1
Hydrochloric Acid SCHEMBL6476103 0.80 ITGB1 (0.38) ALDH1A1ITGB1ITGA4SORT1RBP4
SCHEMBL29761820 0.79 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2L3MBTL1TSHRHPGD
SCHEMBL5469350 0.79 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2L3MBTL1TSHRHPGD
SCHEMBL31214055 0.75 ASPH (0.41) ALDH1A1MAPK1SMN1; SMN2ASPHSORT1
SCHEMBL7788152 0.75 ALDH1A1 (0.68) ALDH1A1MAPK1SMN1; SMN2HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204476-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-06-30 US disclosed
WO-2022133588-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-06-30 WO disclosed
US-20040210051-A1 N-alkanoylphenylalanine derivatives CHEN LI (US) 2004-10-21 US disclosed
US-6806365-B2 ACTIVITY AS INHIBITORS OF BINDING BETWEEN VCAM-1 AND CELLS EXPRESSING VLA-4. SUCH COMPOUNDS ARE USEFUL FOR TREATING DISEASES WHOSE SYMPTOMS AND/OR DAMAGE ARE RELATED TO THE BINDING OF VCAM-1 TO CELLS EXPRESSING VLA-4. HOFFMANN-LA ROCHER INC. 2004-10-19 US disclosed
EP-1005445-B1 N-ALKANOYLPHENYLALANINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-05-26 EP disclosed
EP-1403247-A1 N-Alkanoylphenylalanine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2004-03-31 EP disclosed
EP-1005446-B1 N-AROYLPHENYLALANINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-02-25 EP disclosed
US-20030109459-A1 N-alkanoylphenylalamine derivatives CHEN LI (US) 2003-06-12 US disclosed
US-6479666-B2 ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. 2002-11-12 US disclosed
US-6458844-B2 ANTIINFLAMMATORY AGENTS HOFFMANN-LA ROCHE INC. 2002-10-01 US disclosed
US-20020028933-A1 Thioamide derivatives HULL KENNETH GREGORY (US) 2002-03-07 US disclosed
US-20020010338-A1 PHENYL-KETO-IMIDAZOLIDINE THIOAMIDE DERIVATIVES HULL KENNETH G (US) 2002-01-24 US disclosed
US-20010041799-A1 Diephenyl carbocyclic thioamide derivatives HULL KENNETH G (US) 2001-11-15 US disclosed
US-6288267-B1 AROMATIC CARBOXY THIOAMIDES WITH AMIDES AS DRUGS TO COUNTERACT INFLAMMATION HOFFMANN-LA ROCHE INC. 2001-09-11 US disclosed
US-6229011-B1 BINDING INHIBITORS BETWEEN VASCULAR ADHESION MOLECULE-1 AND ALPHA. BETA.INTEGRIN; USEFUL FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES SUCH AS MULTIPLE SCLEROSIS, ASTHMA, AND INFLAMMATORY BOWEL DISEASE HOFFMAN-LA ROCHE INC. 2001-05-08 US disclosed
CN-1276785-A N-aroylphenylalanine derivs. HOFFMANNN LA ROCHE AG F (CH) 2000-12-13 CN disclosed
EP-1005445-A1 N-ALKANOYLPHENYLALANINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-07 EP disclosed
EP-1005446-A1 N-AROYLPHENYLALANINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-07 EP disclosed
WO-1999010313-A1 N-AROYLPHENYLALANINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1999-03-04 WO disclosed
WO-1999010312-A1 N-ALKANOYLPHENYLALANINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-04 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 (6 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-20220204476-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF SARS1, NSUN3, GTF3C4 ALDH1A1 2958/4885MAPK1 3546/4885SMN1; SMN2 3076/4885
US-20030109459-A1 N-alkanoylphenylalamine derivatives VCAM1, ICAM1, SELL ALDH1A1 59/4885MAPK1 1691/4885SMN1; SMN2 2764/4885
US-20020028933-A1 Thioamide derivatives VCAM1, ICAM1, LTB4R ALDH1A1 153/4885MAPK1 2027/4885SMN1; SMN2 3641/4885
US-20040210051-A1 N-alkanoylphenylalanine derivatives VCAM1, ICAM1, CD59 ALDH1A1 47/4885MAPK1 1010/4885SMN1; SMN2 1522/4885
US-20020010338-A1 PHENYL-KETO-IMIDAZOLIDINE THIOAMIDE DERIVATIVES VCAM1, ICAM1, KCNA4 ALDH1A1 243/4885MAPK1 646/4885SMN1; SMN2 3798/4885
US-20010041799-A1 Diephenyl carbocyclic thioamide derivatives VCAM1, ICAM1, LTB4R ALDH1A1 232/4885MAPK1 1365/4885SMN1; SMN2 4271/4885

“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.