SCHEMBL10141023

SCHEMBL10141023

Cc1cnc(-c2ccc(C(C)C)s2)s1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.35
SRC P12931 1/20 0.33
CDK2 P24941 1/20 0.33
ZAP70 P43403 1/20 0.33
SYK P43405 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
FDPS P14324 2/20 0.33
HDAC4 P56524 2/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL889350 0.85 FDPS (0.39) CDK2FDPSHDAC4HDAC6
SCHEMBL20175446 0.82 NOS1 (0.44) NOS1SRCCDK2ZAP70SYK
SCHEMBL10141290 0.81 NOS1 (0.43) NOS1SRCCDK2ZAP70SYK
SCHEMBL890250 0.80 FDPS (0.38) CDK2FDPSHDAC4HDAC6
SCHEMBL13183553 0.77 ALDH1A1 (0.39)
SCHEMBL299972 0.74 MAPT (0.42) NOS1SRCCDK2ZAP70SYK
SCHEMBL12462949 0.74 NOS1 (0.38) NOS1SRCCDK2ZAP70SYK
SCHEMBL8270602 0.74 CYP2A6 (0.42) NOS1SRCCDK2ZAP70SYK
SCHEMBL13160210 0.73 ALOX5 (0.36)
SCHEMBL20288050 0.73 NOS1 (0.36) NOS1SRCCDK2ZAP70SYK

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-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 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-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 NOS1 1084/4885SRC 1651/4885CDK2 150/4885
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 NOS1 789/4885SRC 1767/4885CDK2 222/4885

“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.