SCHEMBL5999367

SCHEMBL5999367

Cn1ccc2cc(Oc3cc(S(C)(=O)=O)ccc3CCN)ccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.39
SOS1 Q07889 1/20 0.39
PKM P14618 2/20 0.38
ADRB2 P07550 1/20 0.37
LMNA P02545 1/20 0.37
PKLR P30613 1/20 0.36
KDR P35968 1/20 0.36
MAPT P10636 1/20 0.36
HTR6 P50406 3/20 0.35
TP53 P04637 1/20 0.35
SHMT2 P34897 1/20 0.35
SLC6A4 P31645 1/20 0.34
KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL5999361 0.84 HTR2A (0.42) PKMLMNASLC6A4
SCHEMBL5505035 0.82 HTR6 (0.44) SOS1LMNAHTR6
SCHEMBL6000147 0.81 HTR2A (0.43) PRKCISOS1ADRB2LMNAKDR
SCHEMBL5998731 0.78 PTGS1 (0.48) SOS1KDRMAPTHTR6
SCHEMBL5503713 0.77 SOS1 (0.49) SOS1SLC6A4
SCHEMBL5503825 0.76 BRD4 (0.45) SOS1LMNAHTR6SLC6A4
SCHEMBL6000529 0.75 HTR2A (0.46) PRKCISOS1ADRB2KDRSLC6A4
SCHEMBL18184512 0.75 PKM (0.55) PRKCIPKMLMNAPKLR
SCHEMBL27873084 0.68 ADRB2 (0.58) ADRB2HTR6
SCHEMBL5497370 0.68 SOS1 (0.41) SOS1LMNAMAPTHTR6

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-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 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 (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-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B PRKCI 3695/4885SOS1 3837/4885PKM 1621/4885

“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.