SCHEMBL18768656

SCHEMBL18768656

CC(C)(S)c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.41
CTNNB1 P35222 3/20 0.36
WNT3A P56704 3/20 0.36
GPR183 P32249 2/20 0.36
NOTUM Q6P988 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
KIF11 P52732 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
GPR3 P46089 1/20 0.33
TSHR P16473 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
HDAC4 P56524 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
MRGPRX4 Q96LA9 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
SCHEMBL2662891 0.85 PDE2A (0.43) PDE2ACTNNB1WNT3AGPR183NOTUM
SCHEMBL13566120 0.79 CNR2 (0.40) PDE2ACTNNB1WNT3AGPR183NOTUM
SCHEMBL16238040 0.77 PDE2A (0.42) PDE2ACTNNB1WNT3AGPR183NOTUM
SCHEMBL16237863 0.76 PDE2A (0.46) PDE2ACTNNB1WNT3AGPR183SMYD3
SCHEMBL14951993 0.76 PDE2A (0.46) PDE2ACTNNB1WNT3AGPR183NOTUM
SCHEMBL19965705 0.76 CNR2 (0.45) PDE2ACTNNB1WNT3AGPR183
SCHEMBL16237851 0.75 PDE2A (0.46) PDE2ACTNNB1WNT3AGPR183NOTUM
SCHEMBL1350221 0.74 PDE2A (0.40) PDE2ACTNNB1WNT3AGPR183PIK3CA
SCHEMBL2662892 0.73 ALDH1A1 (0.38) PDE2AKIF11NPC1RAB9ATSHR
SCHEMBL16237855 0.73 PDE2A (0.37) PDE2ACTNNB1WNT3AGPR183NOTUM

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-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 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-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PDE2A 2020/4885CTNNB1 1219/4885WNT3A 2287/4885
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LPAR1 PDE2A 574/4885CTNNB1 1584/4885WNT3A 2197/4885

“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.