SCHEMBL22722087

SCHEMBL22722087

CCNCCCS(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.55
MEN1 O00255 1/20 0.55
GLA P06280 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 2/20 0.52
CYP1A2 P05177 1/20 0.52
KDM1A O60341 5/20 0.44
SAT1 P21673 3/20 0.41
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.35
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL26150534 0.81 TSHR (0.52) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL22030383 0.81 TSHR (0.46) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL12473129 0.79 CYP2C19 (0.50) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL26000880 0.76 CA12 (0.55) CYP2C19MEN1KMT2ATSHRCYP1A2
SCHEMBL17778017 0.75 CYP2C19 (0.46) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL21106884 0.75 CYP2C19 (0.46) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL331175 0.75 CYP2C19 (0.86) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL330921 0.75
SCHEMBL3914213 0.72 CYP2C19 (0.48) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL3914208 0.72 CYP2C19 (0.48) CYP2C19MEN1GLAKMT2ATSHR

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-10851073-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof ABBVIE INC. (US) 2020-12-01 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-10851073-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof PTPN1, PTPN2, PTPN18 CYP2C19 4034/4885MEN1 3734/4885GLA 2887/4885

“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.