SCHEMBL21138713

SCHEMBL21138713

Nc1ccc(C(F)F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KIF11 P52732 1/20 0.38
GAA P10253 2/20 0.34
HIF1A Q16665 2/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33

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 SCHEMBL30283024 0.98 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA4
SCHEMBL4826032 0.84 ALDH1A1 (0.52) ALDH1A1CA12CA1CA2CA4
SCHEMBL1597071 0.83 ALDH1A1 (0.54) ALDH1A1CA12CA1CA2CA4
SCHEMBL2698840 0.81 ALDH1A1 (0.39) ALDH1A1KIF11GAAHIF1AALOX12
SCHEMBL8282311 0.80 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL11558236 0.80 TDP1 (0.43) ALDH1A1KIF11GAAHIF1AALOX12
SCHEMBL8282821 0.79 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2CA4
SCHEMBL28193191 0.77 CES2 (0.45) KIF11TRPV4MRGPRX4APPPTGS1
SCHEMBL5381547 0.77 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2CA4
SCHEMBL20226510 0.77 ALDH1A1 (0.58) ALDH1A1CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 US disclosed
WO-2019115586-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-06-20 WO disclosed
CN-108064224-A Amide-substituted thiazoles as modulators of Ror gamma t 詹森药业有限公司 2018-05-22 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 (1 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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT ALDH1A1 825/4885CA12 1157/4885CA1 554/4885

“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.