SCHEMBL20178552

SCHEMBL20178552

CCCCCc1cncc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PTGS2 P35354 3/20 0.39
CYP3A4 P08684 1/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
FAAH O00519 1/20 0.37
PLK1 P53350 1/20 0.37

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
SCHEMBL19697160 0.98 DAO (0.47) DAOTDP1L3MBTL1CYP11B1CYP11B2
SCHEMBL20392647 0.98 DAO (0.47) DAOTDP1L3MBTL1CYP11B1CYP11B2
SCHEMBL11973910 0.87 DAO (0.51) DAOCYP11B1CYP11B2GABRA2GABRB2
SCHEMBL27733869 0.81 TDP1 (0.59) TDP1L3MBTL1PTGS2CYP3A4
SCHEMBL9610936 0.80 DAO (0.46) DAOCYP11B1CYP11B2
SCHEMBL14402519 0.80 PTGS2 (0.50) DAOPTGS2CYP3A4GABRA2GABRB2
Hydrochloric Acid SCHEMBL28015977 0.79 TDP1 (0.57) TDP1L3MBTL1PTGS2CYP3A4
SCHEMBL27563659 0.79 TDP1 (0.57) TDP1L3MBTL1PTGS2CYP3A4
SCHEMBL27567833 0.78 PTGS2 (0.52) PTGS2CYP3A4GABRA2GABRB2TRPV1
SCHEMBL19619535 0.77 TDP1 (0.50) TDP1L3MBTL1PTGS2CYP3A4TRPV1

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-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
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 (3 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-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 DAO 724/4885TDP1 3195/4885L3MBTL1 4512/4885
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 DAO 1253/4885TDP1 3884/4885L3MBTL1 4819/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 DAO 1253/4885TDP1 3884/4885L3MBTL1 4819/4885

“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.