SCHEMBL9567244

SCHEMBL9567244

O=C(S)[C@@H](O)C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.54
CES2 O00748 3/20 0.54
LMNA P02545 3/20 0.54
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA3 P07451 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA13 Q8N1Q1 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
TDP1 Q9NUW8 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALKBH5 Q6P6C2 1/20 0.46
MDM2 Q00987 1/20 0.45
ALDH1A1 P00352 4/20 0.44

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
SCHEMBL1549080 0.85 CES1 (0.62) CES1CES2LMNACA2CA4
Hydrochloric Acid SCHEMBL29089395 0.83 CES1 (0.60) CES1CES2LMNACA2CA4
SCHEMBL6663155 0.81 CES2 (0.58) CES1CES2LMNACA2CA4
SCHEMBL2171281 0.78 CA12 (0.48) CES1CES2LMNACA2CA4
SCHEMBL3948669 0.78 CA12 (0.48) CES1CES2LMNACA2CA4
SCHEMBL8445181 0.78 CES1 (0.60) CES1CES2LMNACA2CA4
SCHEMBL11213788 0.77 CES2 (0.54) CES1CES2LMNACA2CA4
SCHEMBL28785748 0.77 CES1 (0.54) CES1CES2LMNACA2CA4
SCHEMBL6262951 0.77 CES2 (0.54) CES1CES2LMNACA2CA4
SCHEMBL27539912 0.77 CES2 (0.54) CES1CES2LMNACA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150374861-A1 KIT FOR TUMOR IMAGING THOMAS JEFFERSON UNIVERSITY 2015-12-31 US disclosed
EP-2956157-A1 KIT FOR TUMOR IMAGING Thomas Jefferson University (US) 2015-12-23 EP disclosed
WO-2014126902-A1 KIT FOR TUMOR IMAGING THOMAS JEFFERSON UNIVERSITY (US) 2014-08-21 WO disclosed
EP-0542216-A1 Diaminomercapto (thio)ethers as complexing agents for nucleides applicable in nuclear medicine, process for the preparation of this complexes, and masking kits containing them HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-19 EP 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-20150374861-A1 KIT FOR TUMOR IMAGING ARG1, TIE1, TYR CES1 3705/4885CES2 4799/4885LMNA 875/4885

“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.