SCHEMBL22189801

SCHEMBL22189801

CCS(=O)(=O)c1cc(OCCS(C)(=O)=O)ccc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.35
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ P2RY12 Q9H244 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ PTGS2 P35354 3/20 0.31
▸ PTGS1 P23219 2/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ KCNH2 Q12809 3/20 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
SCHEMBL20547494 0.91 CNR2 (0.34) CNR2MAPTPTGS2PTGS1HPGD
SCHEMBL22189561 0.89 CNR2 (0.34) CNR2PDE3BPDE3AP2RY12MAPT
SCHEMBL20547523 0.87 CNR2 (0.34) CNR2MAPTCA12CA1CA2
SCHEMBL22189269 0.87 CNR2 (0.35) CNR2MAPTPTGS2PTGS1CA12
SCHEMBL22189306 0.86 PTGES (0.34) CNR2MAPTHPGDCA12CA1
SCHEMBL22189326 0.86 CNR2 (0.33) CNR2KCNH2
SCHEMBL22189517 0.85 S1PR1 (0.35) CNR2CYP2C9KDM4EALDH1A1HPGD
SCHEMBL20547579 0.85 CNR2 (0.34) CNR2CA12CA1CA2CA9
SCHEMBL17824513 0.84 CA12 (0.36) CNR2PTGS2PTGS1KDM4EKCNH2
SCHEMBL22189255 0.84 S1PR1 (0.33) CNR2HPGDCA12CA1CA2

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-20200216441-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-07-09 — — US disclosed
US-20200216441-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-07-09 — — 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-20200216441-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR CNR2 2169/4885PDE3B 899/4885PDE3A 490/4885

“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