Sugi Predict

Sugi Predict / Compounds / SCHEMBL2608949

SCHEMBL2608949

SCHEMBL2608949

CC(C)CSc1nc[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 1/20 0.46
▸ RAB9A P51151 6/20 0.42
▸ NPC1 O15118 6/20 0.42
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.37
▸ GAA P10253 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2E1 P05181 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2B6 P20813 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ LMNA P02545 2/20 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
Ammonia Solution, Strong SCHEMBL7246455 0.98 ALPL (0.44) ALPLRAB9ANPC1TSHRALDH1A1
SCHEMBL14277012 0.73 — —
SCHEMBL13750213 0.72 ALDH1A1 (0.36) RAB9ANPC1TSHRALDH1A1GAA
SCHEMBL9674714 0.72 — —
SCHEMBL7814837 0.72 — —
SCHEMBL755197 0.72 — —
SCHEMBL11375936 0.71 SMN1; SMN2 (0.38) RAB9ANPC1TSHRALDH1A1KDM4E
SCHEMBL17727007 0.71 — —
SCHEMBL11922540 0.70 ALDH1A1 (0.45) ALPLRAB9ANPC1TSHRALDH1A1
SCHEMBL9000130 0.70 FDPS (0.34) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 — — US disclosed
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 — — US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 — — US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 — — US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 — — US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 — — 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 (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-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E ALPL 2893/4885RAB9A 1527/4885NPC1 1299/4885
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E ALPL 1525/4885RAB9A 1672/4885NPC1 545/4885

“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.