SCHEMBL22349441

SCHEMBL22349441

CCn1c(C(F)(F)F)cc2nc(-c3nc(-c4cccnc4)ccc3S(=O)(=O)CC)n(C)c2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 3/20 0.38
▸ CYP11B1 P15538 2/20 0.38
▸ TBXAS1 P24557 1/20 0.35
▸ DDR1 Q08345 2/20 0.35
▸ MAPT P10636 4/20 0.35
▸ KIT P10721 2/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ CYP3A5 P20815 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ KCNA3 P22001 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CYP2E1 P05181 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2B6 P20813 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL22349518 0.92 DDR1 (0.33) DDR1
SCHEMBL22349400 0.91 ADORA2B (0.35) DDR1MAPTS1PR1CYP2C9CYP2C19
SCHEMBL22349397 0.91 KDM4E (0.36) DDR1KITS1PR1CYP2C19
SCHEMBL22349369 0.88 DDR1 (0.34) DDR1MAPTPTGS2CYP3A4CYP2C9
SCHEMBL22349517 0.88 DDR1 (0.34) DDR1
SCHEMBL22349445 0.88 DDR1 (0.35) DDR1
SCHEMBL22349396 0.88 MAOB (0.36) DDR1PTGS2CYP3A4S1PR1CYP2C9
SCHEMBL22349444 0.87 DDR1 (0.35) DDR1PTGS2CYP3A4S1PR1
SCHEMBL22349522 0.87 DDR1 (0.32) DDR1
SCHEMBL18357978 0.87 KDM4E (0.36) DDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745396-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2020-08-18 — — 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-10745396-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents DDT, SQOR, ACHE CYP11B2 66/4885CYP11B1 68/4885TBXAS1 2866/4885

“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