SCHEMBL13085368

SCHEMBL13085368

O=C(NC12CCC(S)(CC1)CC2)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CTRB1 P17538 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 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
SCHEMBL13085484 0.87 CTSL (0.49) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL1305844 0.85 CTSL (0.48) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL3931249 0.85 CTSL (0.48) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL3923195 0.84 CTSL (0.47) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL3941493 0.83 TSHR (0.47) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL15332764 0.83 CTSL (0.46) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL29761493 0.83 CTSL (0.49) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL12054389 0.82 ALDH1A1 (0.51) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL17141146 0.82 CTSL (0.51) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL13085488 0.82 CTSB (0.48) CTSLCTSBCTSSLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US disclosed
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US disclosed
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO disclosed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP disclosed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 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 (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-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF HSD11B2, HSD11B1, HSD17B2 CTSL 4342/4885CTSB 3670/4885CTSS 3289/4885

“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.