SCHEMBL10188906

SCHEMBL10188906

COc1cc(-c2sncc2-c2ccnnc2)cc(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.43
S1PR1 P21453 3/20 0.42
AAK1 Q2M2I8 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
CHEK2 O96017 1/20 0.32
DHFR P00374 1/20 0.32
STING1 Q86WV6 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
WNT3A P56704 1/20 0.31
FYN P06241 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
SCHEMBL10188834 0.87 PTGS2 (0.48) PTGS2S1PR1FYN
SCHEMBL615284 0.86 PTGS2 (0.46) PTGS2S1PR1CHEK2FYN
SCHEMBL10188832 0.85 PTGS2 (0.49) PTGS2S1PR1FYN
SCHEMBL10188916 0.84 CYP11B1 (0.46) PTGS2S1PR1FYN
SCHEMBL10188977 0.84 PTGS2 (0.50) PTGS2CHEK2FYN
SCHEMBL10188804 0.82 PTGS2 (0.67) PTGS2CYP1A1CYP1B1FYN
SCHEMBL10188873 0.81 TUBB1 (0.48) PTGS2CHEK2HCRTR1FYN
SCHEMBL10188895 0.81 CYP2A6 (0.48) PTGS2CHEK2FYN
SCHEMBL10188820 0.81 PTGS2 (0.65) PTGS2FYN
SCHEMBL10188824 0.81 PTGS2 (0.50) PTGS2CHEK2DHFRFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SUN LIJUN (US) 2013-08-08 US disclosed
US-8399435-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-03-19 US disclosed
US-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-02-16 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 (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-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PTGS2 3488/4885S1PR1 405/4885AAK1 3020/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PTGS2 3488/4885S1PR1 405/4885AAK1 3020/4885

“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.