SCHEMBL20178632

SCHEMBL20178632

Fc1cc2c(cc1C(F)(F)F)CN(S)C2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
KDM1A O60341 1/20 0.33
AR P10275 1/20 0.32
GPR3 P46089 1/20 0.32
KIF11 P52732 2/20 0.32

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
SCHEMBL20178633 0.80 HTR2A (0.41) HTR2AHTR2CHTR2BKDM1AAR
SCHEMBL20178676 0.77 HTR2A (0.43) HTR2AHTR2CHTR2BKIF11
SCHEMBL20173787 0.76 HTR2A (0.44) HTR2AHTR2CHTR2BKDM1AAR
SCHEMBL8262221 0.71 AR (0.37) HTR2AHTR2CHTR2BKDM1AAR
SCHEMBL3874950 0.71 ALDH1A1 (0.36) HTR2AHTR2CHTR2BKDM1AAR
SCHEMBL15850523 0.69 KIF11 (0.44) KDM1AARGPR3KIF11
SCHEMBL31327518 0.65 KIF11 (0.41) HTR2AHTR2CHTR2BKDM1AAR
SCHEMBL8975074 0.65 KIF11 (0.41) HTR2AHTR2CHTR2BKDM1AAR
Trifluoroacetic Acid SCHEMBL3880387 0.62 AR (0.35) HTR2AHTR2CHTR2BKDM1AAR
SCHEMBL14525575 0.62 TRPV1 (0.37) HTR2AHTR2CHTR2BKDM1AAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 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-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 HTR2A 3895/4885HTR2C 2204/4885HTR2B 2890/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 HTR2A 3895/4885HTR2C 2204/4885HTR2B 2890/4885

“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.