SCHEMBL20178663

SCHEMBL20178663

CC(S)N1Cc2ccc(-c3cccnc3)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 15/20 0.52
CYP11B2 P19099 14/20 0.52
CYP1A2 P05177 9/20 0.47
GRIA2 P42262 1/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 1/20 0.47
CYP17A1 P05093 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2B6 P20813 1/20 0.45
TDP2 O95551 1/20 0.44
NAMPT P43490 1/20 0.43

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
SCHEMBL20173786 0.89 CYP11B1 (0.55) CYP11B1CYP11B2CYP1A2GRIA2CYP3A4
SCHEMBL20178628 0.81 CYP11B2 (0.59) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL20178639 0.76 CYP11B1 (0.50) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL20178692 0.76 CYP11B1 (0.44) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL21217003 0.74 SIGMAR1 (0.39) NAMPT
SCHEMBL6370155 0.70 CYP11B1 (0.57) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL31070625 0.69 GPR119 (0.53) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL8081400 0.69 CYP11B2 (1.00) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL20178634 0.69 MEN1 (0.52)
SCHEMBL31070593 0.68 CYP11B1 (0.63) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9

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 CYP11B1 268/4885CYP11B2 336/4885CYP1A2 431/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 CYP11B1 268/4885CYP11B2 336/4885CYP1A2 431/4885

“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.