SCHEMBL17949388

SCHEMBL17949388

CCS(=O)(=O)c1ccc(C2(C#N)CC2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ DDR1 Q08345 1/20 0.31
▸ ELANE P08246 3/20 0.31
▸ IDH1 O75874 3/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL17529566 0.85 S1PR1 (0.32) S1PR1LMNAHTTSMN1; SMN2
SCHEMBL20997774 0.85 DRD2 (0.30) DDR1
SCHEMBL24285909 0.83 — —
SCHEMBL17844190 0.83 POLB (0.39) DDR1
SCHEMBL29904938 0.83 POLB (0.39) DDR1
SCHEMBL17529570 0.83 CYP1A2 (0.36) S1PR1ELANECNR2LMNAHTT
SCHEMBL17941364 0.82 S1PR1 (0.35) S1PR1KCNH2DDR1ELANECNR2
SCHEMBL24285908 0.82 — —
SCHEMBL31534714 0.81 CNR2 (0.35) S1PR1KCNH2DDR1CNR2LMNA
SCHEMBL18013264 0.81 CNR2 (0.35) S1PR1KCNH2DDR1CNR2LMNA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12134612-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents SYNGENTA CROP PROTECTION AG (CH) 2024-11-05 — — US disclosed
US-20210332039-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-10-28 — — US disclosed
US-20210332039-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-10-28 — — US disclosed
US-10981907-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-04-20 — — US disclosed
US-10981907-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-04-20 — — US disclosed
US-20190144445-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-05-16 — — US disclosed
US-20190144445-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-05-16 — — US disclosed
US-10138238-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2018-11-27 — — US disclosed
US-20170362224-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-21 — — US disclosed
US-20170362224-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-21 — — US disclosed
US-20170362224-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-21 — — US disclosed
WO-2016116338-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-07-28 — — WO 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 (6 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-10981907-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents DDT, ACHE, GSTM1 S1PR1 2108/4885KCNH2 2503/4885DDR1 4467/4885
US-12134612-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents DDT, ACHE, SQOR S1PR1 2066/4885KCNH2 2441/4885DDR1 4383/4885
US-20190144445-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR S1PR1 2066/4885KCNH2 2441/4885DDR1 4383/4885
US-20170362224-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, SQOR, PTMS S1PR1 2342/4885KCNH2 1928/4885DDR1 4512/4885
US-20210332039-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR S1PR1 2066/4885KCNH2 2441/4885DDR1 4383/4885
US-10138238-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents DDT, SQOR, PTMS S1PR1 2342/4885KCNH2 1928/4885DDR1 4512/4885

“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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