Sugi Predict

Sugi Predict / Compounds / SCHEMBL10120404

SCHEMBL10120404

SCHEMBL10120404

C[C@H](CC(=O)C(C)(C)C)Cc1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.51
▸ RAB9A P51151 8/20 0.49
▸ NPC1 O15118 6/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CTSC P53634 3/20 0.45
▸ LMNA P02545 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ RIPK1 Q13546 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL10120402 1.00 CYP2C19 (0.51) CYP2C19RAB9ANPC1ALDH1A1HPGD
SCHEMBL29065811 0.82 CYP2C19 (0.61) CYP2C19RAB9ANPC1ALDH1A1HPGD
SCHEMBL28814778 0.82 CYP2C19 (0.61) CYP2C19RAB9ANPC1ALDH1A1HPGD
SCHEMBL29065802 0.82 CYP2C19 (0.61) CYP2C19RAB9ANPC1ALDH1A1HPGD
SCHEMBL888821 0.81 CYP2C19 (0.54) CYP2C19RAB9ANPC1ALDH1A1HPGD
SCHEMBL30973538 0.81 CYP2C19 (0.54) CYP2C19RAB9ANPC1ALDH1A1HPGD
SCHEMBL888814 0.81 CYP2C19 (0.54) CYP2C19RAB9ANPC1ALDH1A1HPGD
SCHEMBL22361398 0.76 RAB9A (0.45) CYP2C19RAB9ANPC1ALDH1A1HPGD
SCHEMBL15580751 0.76 RAB9A (0.45) CYP2C19RAB9ANPC1ALDH1A1HPGD
SCHEMBL6870551 0.76 HPGD (0.51) CYP2C19RAB9ANPC1ALDH1A1HPGD

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-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 — — US disclosed
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 — — US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 — — US disclosed
US-20110300104-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-12-08 — — US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 — — US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 — — 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 (4 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-20110300104-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP2C19 418/4885RAB9A 3036/4885NPC1 36/4885
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP2C19 418/4885RAB9A 3036/4885NPC1 36/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CYP2C19 180/4885RAB9A 3679/4885NPC1 159/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP2C19 418/4885RAB9A 3036/4885NPC1 36/4885

“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.