SCHEMBL23675536

SCHEMBL23675536

C[C@H](O)c1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.61
CES2 O00748 2/20 0.47
LIPG Q9Y5X9 1/20 0.40
PSMB11 A5LHX3 3/20 0.38
PSMA7 O14818 3/20 0.38
PSMB1 P20618 3/20 0.38
PSMA1 P25786 3/20 0.38
PSMA2 P25787 3/20 0.38
PSMA3 P25788 3/20 0.38
PSMA4 P25789 3/20 0.38
PSMB8 P28062 3/20 0.38
PSMB9 P28065 3/20 0.38
PSMA5 P28066 3/20 0.38
PSMB4 P28070 3/20 0.38
PSMB6 P28072 3/20 0.38
PSMB5 P28074 3/20 0.38
PSMB10 P40306 3/20 0.38
PSMB3 P49720 3/20 0.38
PSMB2 P49721 3/20 0.38
PSMA6 P60900 3/20 0.38

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
SCHEMBL22717043 1.00 PDE2A (0.61) PDE2ACES2LIPGPSMB11PSMA7
SCHEMBL19696153 1.00 PDE2A (0.61) PDE2ACES2LIPGPSMB11PSMA7
SCHEMBL19898274 0.85 PDE2A (0.66) PDE2ACES2LIPGSCN10AAR
SCHEMBL12868145 0.84 PDE2A (0.46) PDE2ACES2HTR2AHTR2CHTR2B
SCHEMBL2964976 0.84 CES2 (0.50) PDE2ACES2ORAI1ORAI2ORAI3
SCHEMBL2882405 0.81 PDE2A (0.43) PDE2ACES2SCN10AHTR2AHTR2C
SCHEMBL22717245 0.81 P2RX7 (0.47) PDE2ACES2ARCYP3A4CYP2D6
SCHEMBL14121100 0.81 PDE2A (0.43) PDE2ACES2SCN10AHTR2AHTR2C
SCHEMBL14121399 0.81 PDE2A (0.43) PDE2ACES2SCN10AHTR2AHTR2C
SCHEMBL17025293 0.81 PDE2A (0.61) PDE2ALIPGSCN10AHTR2AHTR2C

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-11072602-B2 Antidiabetic heterocyclic compounds MERCK SHARP & DOHME CORP. (US) 2021-07-27 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-11072602-B2 Antidiabetic heterocyclic compounds GPR119, GLP1R, GPR65 PDE2A 642/4885CES2 1766/4885LIPG 109/4885

“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.