SCHEMBL20178615

SCHEMBL20178615

CC(S)c1ccc2cc(C(=O)O)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
RARB P10826 6/20 0.50
RARG P13631 6/20 0.50
RARA P10276 5/20 0.50
GRIN2D O15399 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
AKR1C3 P42330 7/20 0.42
AKR1C2 P52895 7/20 0.42
PTGS2 P35354 3/20 0.42
PTGS1 P23219 2/20 0.42
CDC42 P60953 1/20 0.42
RAC1 P63000 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
CYP26A1 O43174 1/20 0.42
CYP26B1 Q9NR63 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8081677 0.85 KDM4E (0.55) KDM4ERARBRARGRARAGRIN2D
SCHEMBL11463895 0.82 AKR1C3 (0.63) KDM4ERARBRARGRARAAKR1C3
SCHEMBL19554193 0.81 KDM4E (0.50) KDM4ERARBRARGRARAGRIN2D
SCHEMBL19774287 0.81 KDM4E (0.50) KDM4ERARBRARGRARAGRIN2D
SCHEMBL1939907 0.81 TSHR (0.55) TSHRKMT2A
SCHEMBL7907125 0.79 RARB (0.54) KDM4ERARBRARGRARAGRIN2D
SCHEMBL120025 0.79 GRIN2D (0.50) KDM4ERARBRARGRARAGRIN2D
Methyl Alcohol SCHEMBL7181550 0.78 KDM4E (0.69) KDM4ERARBRARGRARAGRIN2D
SCHEMBL6916181 0.78 KDM4E (0.68) KDM4ERARBRARGRARAGRIN2D
SCHEMBL18758 0.78 KDM4E (0.68) KDM4ERARBRARGRARAGRIN2D

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 KDM4E 4005/4885RARB 877/4885RARG 823/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 KDM4E 4005/4885RARB 877/4885RARG 823/4885

“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.