SCHEMBL21715802

SCHEMBL21715802

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc(Cl)n1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 11/20 0.34
▸ S1PR1 P21453 3/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL20393709 0.89 RORC (0.33) RORCS1PR1LMNAHPGDHTT
SCHEMBL20393758 0.89 RORC (0.37) RORCS1PR1KCNH2
SCHEMBL21715798 0.87 LMNA (0.37) RORCS1PR1LMNAHPGDHTT
SCHEMBL20393715 0.87 RORC (0.36) RORCS1PR1HPGDKCNH2
SCHEMBL20386960 0.86 CNR2 (0.33) RORCS1PR1
SCHEMBL20393624 0.85 KCNH2 (0.31) S1PR1LMNAHPGDHTTKCNH2
SCHEMBL20393831 0.85 S1PR1 (0.36) RORCS1PR1LMNAHPGDHTT
SCHEMBL20393874 0.84 LMNA (0.35) RORCS1PR1LMNAHPGDHTT
SCHEMBL29574504 0.83 KCNH2 (0.33) RORCS1PR1LMNAHPGDHTT
SCHEMBL20379037 0.83 KCNH2 (0.33) RORCS1PR1LMNAHPGDHTT

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-11083199-B2 Heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2021-08-10 — — US disclosed
US-20200045976-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 — — 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-11083199-B2 Heterocycle derivatives as pesticides DDT, CBR3, CBR1 RORC 3037/4885S1PR1 2092/4885LMNA 1100/4885
US-20200045976-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 RORC 3037/4885S1PR1 2092/4885LMNA 1100/4885

“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.

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