SCHEMBL22017296

SCHEMBL22017296

O=C(N[C@@H](CCO)c1ccc(F)cc1)[C@@H]1SCCN1[SH](=O)=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 1/20 0.43
RPS6KB1 P23443 2/20 0.38
CCR5 P51681 1/20 0.35
WDR91 A4D1P6 3/20 0.35
CACNA1B Q00975 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
CYP2D6 P10635 1/20 0.32
CFD P00746 1/20 0.31
KCNK3 O14649 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
SCHEMBL3386255 0.83 PTGFR (0.46) PTGFRRPS6KB1CCR5WDR91CACNA1B
SCHEMBL22017042 0.82 PTGFR (0.65) PTGFRCCR5CACNA1B
SCHEMBL28252012 0.81 PTGFR (0.44) PTGFRRPS6KB1CCR5WDR91JAK2
SCHEMBL13715039 0.78 PTGFR (0.43) PTGFRRPS6KB1CCR5CFD
SCHEMBL18055685 0.78 PTGFR (0.43) PTGFRRPS6KB1CCR5CFD
SCHEMBL27049055 0.75 PTGFR (0.73) PTGFR
SCHEMBL3381107 0.75 PTGFR (0.73) PTGFR
SCHEMBL3382048 0.75 PTGFR (0.73) PTGFR
SCHEMBL22017295 0.74 PTGFR (0.58) PTGFRRPS6KB1CCR5
SCHEMBL3382831 0.73 PTGFR (0.64) PTGFR

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-11524003-B2 Alpha-amino esters of hydroxypropylthiazolidine carboxamide derivative and salt form, crystal polymorph thereof ObsEva S.A. (CH) 2022-12-13 US disclosed
US-20200155515-A1 ALPHA-AMINO ESTERS OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF XOMA (US) LLC 2020-05-21 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-20200155515-A1 ALPHA-AMINO ESTERS OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF PGF, PTGER1, PTGER4 PTGFR 6/4885RPS6KB1 2608/4885CCR5 1085/4885
US-11524003-B2 Alpha-amino esters of hydroxypropylthiazolidine carboxamide derivative and salt form, crystal polymorph thereof PGF, PTGER1, PTGER4 PTGFR 6/4885RPS6KB1 2608/4885CCR5 1085/4885

“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.