SCHEMBL20205053

SCHEMBL20205053

CNc1ccc(C)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.49
AR P10275 1/20 0.46
KIF11 P52732 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.44
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP30 Q70CQ3 1/20 0.39
TRPV1 Q8NER1 1/20 0.37
NOTUM Q6P988 1/20 0.37
KDR P35968 3/20 0.37
PDK2 Q15119 1/20 0.37
S1PR1 P21453 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CDK8 P49336 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6535264 0.83 AR (0.46) TAS2R14ARKIF11RAPGEF4HTT
SCHEMBL14267822 0.83 AR (0.49) ARKIF11RAPGEF4HTTLMNA
SCHEMBL2199050 0.82 TAS2R14 (0.48) TAS2R14RAPGEF4HTTLMNASMN1; SMN2
SCHEMBL17030740 0.81 NR1H4 (0.40) TAS2R14ARKIF11RAPGEF4LMNA
SCHEMBL12883428 0.80 TAS2R14 (0.47) TAS2R14ARRAPGEF4HTTLMNA
SCHEMBL1421027 0.79 AR (0.50) ARKIF11KDR
SCHEMBL1800248 0.79 AR (0.50) TAS2R14ARRAPGEF4HTTLMNA
SCHEMBL14268240 0.79 AR (0.50) TAS2R14ARRAPGEF4HTTLMNA
SCHEMBL6153068 0.78 KDR (0.61) ARRAPGEF4HTTLMNASMN1; SMN2
SCHEMBL27630342 0.78 AR (0.45) ARKIF11HTTLMNATRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102258-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2023-03-30 US disclosed
EP-3331852-B1 SUBSTITUTED MALONAMIDES AND THEIR USE AS ANTIBACTERIAL DRUGS UNIV NAT TAIWAN (TW) 2020-12-23 EP disclosed
EP-3519385-B1 CYANOPYRROLIDINE DERIVATIVES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2020-11-18 EP disclosed
US-20180146666-A1 ABA RECEPTOR AGONISTS THAT MODULATE TRANSPIRATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-05-31 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 (2 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-20230102258-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 TAS2R14 2976/4885AR 1750/4885KIF11 4835/4885
US-20180146666-A1 ABA RECEPTOR AGONISTS THAT MODULATE TRANSPIRATION ADORA2A, ADORA1, AAK1 TAS2R14 572/4885AR 1334/4885KIF11 4351/4885

“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.