SCHEMBL18503596

SCHEMBL18503596

COc1cncc(-c2ccc(C(F)(F)CNC(=O)c3ccccc3C(F)(F)F)c(F)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 7/20 0.60
▸ CYP11B1 P15538 5/20 0.60
▸ DGAT2 Q96PD7 1/20 0.41
▸ PIK3CA P42336 2/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ SLC22A12 Q96S37 1/20 0.40
▸ CDK7 P50613 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PTGES O14684 2/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ ABCB1 P08183 2/20 0.38

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
SCHEMBL18503608 0.93 CYP11B1 (0.51) CYP11B2CYP11B1DGAT2PIK3CAPIK3CG
SCHEMBL19566551 0.88 CYP11B1 (0.48) CYP11B2CYP11B1TP53PTGESABCB1
SCHEMBL18503598 0.88 CYP11B2 (0.49) CYP11B2CYP11B1TP53PTGESHCRTR1
SCHEMBL18503595 0.86 CYP11B2 (0.42) CYP11B2CYP11B1TP53PTGESHCRTR1
SCHEMBL18503629 0.85 LMNA (0.41) CYP11B2CYP11B1TP53PTGESHCRTR1
SCHEMBL18503600 0.84 KIF11 (0.44) CYP11B2CYP11B1PIK3CGTP53HCRTR1
SCHEMBL18503597 0.84 POLB (0.42) CYP11B2CYP11B1SLC22A12TP53PTGES
SCHEMBL18503604 0.83 CYP11B2 (0.44) CYP11B2CYP11B1PIK3CATP53HCRTR1
SCHEMBL17713105 0.81 TP53 (0.48) TP53
SCHEMBL18503603 0.81 ROCK1 (0.47) —

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-20170044104-A1 NEW PESTICIDAL COMPOUNDS AND USES BAYER ANIMAL HEALTH GMBH (DE) 2017-02-16 — — US disclosed
US-20170044104-A1 NEW PESTICIDAL COMPOUNDS AND USES BAYER ANIMAL HEALTH GMBH (DE) 2017-02-16 — — 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 (1 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-20170044104-A1 NEW PESTICIDAL COMPOUNDS AND USES ACHE, DDT, DNPH1 CYP11B2 2963/4885CYP11B1 3138/4885DGAT2 1612/4885

“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.

Send feedback