Sugi Predict

Sugi Predict / Compounds / SCHEMBL890250

SCHEMBL890250

SCHEMBL890250

Cc1ccc(-c2ncc(C(C)C)s2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.38
▸ CDK2 P24941 7/20 0.37
▸ CCNE1 P24864 6/20 0.37
▸ CDK5 Q00535 6/20 0.37
▸ ALDH1A1 P00352 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ ACACA Q13085 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CDK9 P50750 1/20 0.33

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 0.87 FDPS (0.39) FDPSCDK2CCNE1CDK5ALDH1A1
SCHEMBL10140509 0.82 FDPS (0.36) FDPSCDK2CCNE1CDK5ALDH1A1
SCHEMBL12537251 0.82 NPC1 (0.39) ALDH1A1NPC1HSD17B10MAPTGFER
SCHEMBL12194116 0.80 NPC1 (0.38) ALDH1A1NPC1HSD17B10MAPTGFER
SCHEMBL10141023 0.80 NOS1 (0.35) FDPSCDK2HDAC4HDAC6
SCHEMBL18949112 0.80 FDPS (0.35) FDPSCDK2CCNE1CDK5ALDH1A1
SCHEMBL10141290 0.78 NOS1 (0.43) FDPSCDK2ALDH1A1NPC1HSD17B10
SCHEMBL16522148 0.76 NPC1 (0.35) ALDH1A1NPC1HSD17B10MAPTGFER
SCHEMBL12599254 0.74 SMN1; SMN2 (0.42) FDPSCDK2CCNE1CDK5ALDH1A1
SCHEMBL13183553 0.74 ALDH1A1 (0.39) ALDH1A1NPC1HSD17B10MAPTGFER

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-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 — — US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 — — US disclosed
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 — — US disclosed
US-20110070196-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 — — US disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 — — 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 (5 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-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 FDPS 331/4885CDK2 150/4885CCNE1 189/4885
US-20110070196-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 FDPS 240/4885CDK2 222/4885CCNE1 216/4885
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 FDPS 240/4885CDK2 222/4885CCNE1 216/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 FDPS 567/4885CDK2 331/4885CCNE1 44/4885
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 FDPS 240/4885CDK2 222/4885CCNE1 216/4885

“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.