SCHEMBL18776166

SCHEMBL18776166

Cn1cc(C(=O)O)nc1SSc1nc(C(=O)O)cn1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
BRD4 O60885 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ACMSD Q8TDX5 1/20 0.35
HIF1A Q16665 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
PTGER1 P34995 1/20 0.33
HCAR2 Q8TDS4 3/20 0.33
LMNA P02545 2/20 0.31
DAO P14920 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
SCHEMBL18757847 0.86 PTGS1 (0.36) PTGS1PTGS2RXFP1BRD4KDM4E
SCHEMBL22292396 0.82 ALDH1A1 (0.39) KDM4ETSHRTDP1L3MBTL1PTGER1
SCHEMBL18785837 0.82 RXFP1 (0.33) PTGS1PTGS2RXFP1BRD4KDM4E
SCHEMBL21362773 0.75 PTGS1 (0.39) PTGS1PTGS2RXFP1BRD4KDM4E
SCHEMBL7489316 0.75 RXFP1 (0.42) PTGS1PTGS2RXFP1BRD4KDM4E
SCHEMBL1051401 0.73 PTGER1 (0.39) PTGS1PTGS2RXFP1BRD4KDM4E
Hydrochloric Acid SCHEMBL31555571 0.73 RXFP1 (0.41) PTGS1PTGS2RXFP1BRD4KDM4E
SCHEMBL375420 0.73 RXFP1 (0.45) PTGS1PTGS2RXFP1BRD4KDM4E
SCHEMBL18776163 0.73 PTGS1 (0.38) PTGS1PTGS2RXFP1BRD4KDM4E
SCHEMBL18786076 0.72 HCAR2 (0.39) PTGS1PTGS2RXFP1BRD4KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10729738-B2 Hindered disulfide drug conjugates GENENTECH, INC. (US) 2020-08-04 US disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 US disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 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 (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-10729738-B2 Hindered disulfide drug conjugates STS, TST, SCLY PTGS1 2641/4885PTGS2 2030/4885RXFP1 3692/4885
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES STS, TST, SCLY PTGS1 2641/4885PTGS2 2030/4885RXFP1 3692/4885

“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.