SCHEMBL4740835

SCHEMBL4740835

O=S(=O)(c1ccccc1C(F)(F)F)[C@@H]1CN[C@@H](CO)C1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.53
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AKR1C3 P42330 1/20 0.38

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
SCHEMBL3067070 0.81 CTSS (0.65) CTSSMEN1KMT2AAKR1C3
SCHEMBL3070272 0.81 CTSS (0.65) CTSSMEN1KMT2AAKR1C3
SCHEMBL2690866 0.80 CTSS (0.53) CTSSMEN1KMT2AAKR1C3
SCHEMBL2690869 0.80 CTSS (0.53) CTSSMEN1KMT2AAKR1C3
SCHEMBL2683704 0.76 CTSS (0.62) CTSSMEN1KMT2A
SCHEMBL696922 0.76 CTSS (0.62) CTSSMEN1KMT2A
SCHEMBL696915 0.76 CTSS (0.56) CTSS
SCHEMBL696286 0.76 CTSS (0.56) CTSS
SCHEMBL8483131 0.74 HTR2C (0.51) CTSSMEN1KMT2A
Hydrochloric Acid SCHEMBL696742 0.73 CTSS (0.69) CTSS

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-8524710-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
US-8524710-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
US-20120115843-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-05-10 US disclosed
US-20120115843-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-05-10 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-20120115843-A1 NOVEL PYRROLIDINE DERIVATIVES CTSD, CTSV, CTSS CTSS 3/4885MEN1 2899/4885KMT2A 3862/4885

“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.