SCHEMBL10141254

SCHEMBL10141254

CCCCCCNS(=O)(=O)CC(C)C

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.57
PPARA Q07869 4/20 0.53
CA2 P00918 5/20 0.50
CA1 P00915 4/20 0.50
EPHX1 P07099 2/20 0.48
RELA Q04206 4/20 0.47
CA12 O43570 2/20 0.45
CA7 P43166 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA9 Q16790 1/20 0.42

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
SCHEMBL18949031 0.98 GRIA1 (0.54) GRIA1PPARACA2CA1EPHX1
SCHEMBL10147477 0.92 CA1 (0.54) GRIA1PPARACA2CA1EPHX1
SCHEMBL12232575 0.84 GRIA1 (0.57) GRIA1PPARACA2CA1EPHX1
SCHEMBL13959008 0.83 GRIA1 (0.83) GRIA1PPARACA2CA1EPHX1
SCHEMBL20734509 0.83 GRIA1 (0.83) GRIA1PPARACA2CA1EPHX1
SCHEMBL24735803 0.83 GRIA1 (0.83) GRIA1PPARACA2CA1EPHX1
SCHEMBL19996862 0.83 GRIA1 (0.42) GRIA1PPARACA2CA1EPHX1
SCHEMBL12988696 0.83 CA1 (0.50) GRIA1PPARACA2CA1CA12
SCHEMBL14654996 0.81 GRIA1 (0.78) GRIA1PPARACA2CA1EPHX1
SCHEMBL7691833 0.81 PPARA (0.64) PPARACA2CA1EPHX1RELA

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
EP-2694505-B1 HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2022-04-27 EP disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 GRIA1 4165/4885PPARA 1718/4885CA2 3176/4885
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 GRIA1 4165/4885PPARA 1718/4885CA2 3176/4885

“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.