Sugi Predict

Sugi Predict / Compounds / SCHEMBL4875411

SCHEMBL4875411

SCHEMBL4875411

CCOC(=O)c1csc(NC(=O)C(C)C)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.71
▸ CYP2C19 P33261 1/20 0.71
▸ SMN1; SMN2 Q16637 7/20 0.63
▸ RAB9A P51151 6/20 0.63
▸ NPC1 O15118 5/20 0.63
▸ TDP1 Q9NUW8 1/20 0.60
▸ GAA P10253 2/20 0.60
▸ HSP90AA1 P07900 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ LMNA P02545 3/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ TSHR P16473 1/20 0.57
▸ EGFR P00533 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL15780632 0.86 CYP1A2 (0.53) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL4871149 0.84 CYP1A2 (0.76) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL8000389 0.83 CYP1A2 (0.66) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL231510 0.82 SMN1; SMN2 (0.69) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL1816233 0.81 CYP1A2 (0.71) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL4093041 0.81 CYP1A2 (0.71) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL31062501 0.80 POLB (0.71) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL1536431 0.80 CYP1A2 (0.69) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL13098582 0.80 CYP1A2 (0.69) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL13879960 0.80 CYP1A2 (0.69) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2740734-B1 HCV PROTEASE INHIBITORS SHANGHAI TANGRUN PHARMACEUTICALS CO LTD (CN) 2017-09-06 — — EP disclosed
EP-2740734-B1 HCV PROTEASE INHIBITORS SHANGHAI TANGRUN PHARMACEUTICALS CO LTD (CN) 2017-09-06 — — EP disclosed
US-8969373-B2 HCV protease inhibitors Shanghai Tangrun Pharmaceuticals Co., Ltd. (CN) 2015-03-03 — — US disclosed
US-8969373-B2 HCV protease inhibitors Shanghai Tangrun Pharmaceuticals Co., Ltd. (CN) 2015-03-03 — — US disclosed
US-8969373-B2 HCV protease inhibitors Shanghai Tangrun Pharmaceuticals Co., Ltd. (CN) 2015-03-03 — — US disclosed
US-20140163219-A1 HCV Protease Inhibitors SHANGHAI TANGRUN PHARMACEUTICALS, CO., LTD. (CN) 2014-06-12 — — US disclosed
US-20140163219-A1 HCV Protease Inhibitors SHANGHAI TANGRUN PHARMACEUTICALS, CO., LTD. (CN) 2014-06-12 — — US disclosed
US-20140163219-A1 HCV Protease Inhibitors SHANGHAI TANGRUN PHARMACEUTICALS, CO., LTD. (CN) 2014-06-12 — — US disclosed
EP-2740734-A1 HCV PROTEASE INHIBITORS Shanghai Tangrun Pharmaceuticals, Co. Ltd (CN) 2014-06-11 — — EP disclosed
CN-103703006-A Hcv protease inhibitors SHANGHAI TANGRUN PHARMACEUTICALS CO LTD 2014-04-02 — — CN disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 — — US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 — — US disclosed
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 — — US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 — — US disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 — — US disclosed
EP-1608365-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE Sucampo AG (CH) 2005-12-28 — — EP disclosed
EP-1587800-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS Astellas Pharma Inc. (JP) 2005-10-26 — — EP disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 — — US disclosed
WO-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 — — WO disclosed
WO-2004067521-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-08-12 — — WO 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 (6 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-20140163219-A1 HCV Protease Inhibitors CPN1, CTRL, CTSZ CYP1A2 260/4885CYP2C19 1598/4885SMN1; SMN2 3891/4885
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB CYP1A2 4127/4885CYP2C19 4707/4885SMN1; SMN2 3771/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 CYP1A2 4379/4885CYP2C19 4466/4885SMN1; SMN2 966/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 CYP1A2 3378/4885CYP2C19 4513/4885SMN1; SMN2 3587/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 CYP1A2 4379/4885CYP2C19 4466/4885SMN1; SMN2 966/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB CYP1A2 4852/4885CYP2C19 4870/4885SMN1; SMN2 1570/4885

“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.