Sugi Predict

Sugi Predict / Compounds / SCHEMBL544047

SCHEMBL544047

SCHEMBL544047

Nc1sccc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.52
▸ TDO2 P48775 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ LMNA P02545 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PRKCZ Q05513 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ PDPK1 O15530 1/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ DAPK3 O43293 1/20 0.38

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
SCHEMBL28395878 0.79 MAPK14 (0.52) TDO2ALDH1A1PRKCZPTGS2RAB9A
SCHEMBL7459057 0.77 RAB9A (0.46) TDO2ALDH1A1MEN1KMT2APRKCZ
SCHEMBL2231313 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10LMNAMEN1KMT2A
SCHEMBL8143238 0.77 MEN1 (0.33) BCAT2ALDH1A1MEN1KMT2APTGS2
SCHEMBL28763604 0.77 TAAR1 (0.50) MEN1KMT2AADORA2ATAAR1DAPK3
SCHEMBL920653 0.76 BCAT2 (0.47) BCAT2ALDH1A1HSD17B10LMNAMEN1
SCHEMBL29272566 0.76 HSD17B1 (0.47) ALDH1A1CYP3A4TDP1MAP4K4RET
SCHEMBL28990420 0.76 DHFR (0.50) TDO2ALDH1A1MEN1KMT2AHPGD
SCHEMBL9027924 0.76 HSD17B10 (0.52) ALDH1A1HSD17B10MEN1KMT2AHPGD
SCHEMBL3358969 0.73 BCAT2 (0.48) BCAT2TDO2ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107898790-A For treating or preventing the antiviral JAK inhibitor of retrovirus and other virus infection 埃默里大学 2018-04-13 — — CN claimed
CN-104185420-B Antiviral JAK inhibitors for the treatment or prevention of retroviral and other viral infections 埃默里大学 2017-06-09 — — CN claimed
CN-104185420-A Antiviral JAK inhibitors for the treatment or prevention of retroviral and other viral infections UNIV EMORY 2014-12-03 — — CN claimed
CN-116472292-A Modified proteins and protein degrading agents 上海睿跃生物科技有限公司 2023-07-21 — — CN disclosed
CN-114835622-A N-tert-butyl protection-3-substituted indole compound and preparation method thereof 常州大学 2022-08-02 — — CN disclosed
CN-107898790-A For treating or preventing the antiviral JAK inhibitor of retrovirus and other virus infection 埃默里大学 2018-04-13 — — CN disclosed
CN-107245086-A Thiazolidone containing ferrocenyl and preparation method thereof 陕西科技大学 2017-10-13 — — CN disclosed
CN-104185420-B Antiviral JAK inhibitors for the treatment or prevention of retroviral and other viral infections 埃默里大学 2017-06-09 — — CN disclosed
CN-106632168-A Synthetic method of lactate derivative as well as product and application thereof 上海生农生化制品股份有限公司 2017-05-10 — — CN disclosed
US-9353102-B2 Non-annulated thiophenylamides HOFFMANN-LA ROCHE INC. (US) 2016-05-31 — — US disclosed
US-9353102-B2 Non-annulated thiophenylamides HOFFMANN-LA ROCHE INC. (US) 2016-05-31 — — US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 — — US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 — — US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 — — US disclosed
EP-1778718-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2007-05-02 — — EP disclosed
WO-2006014361-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2006-02-09 — — WO disclosed
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2006-01-19 — — US disclosed
EP-0424048-A2 Electrically conductive pigmentary composites KERR-McGEE CHEMICAL CORPORATION (US) 1991-04-24 — — EP disclosed
US-4263205-A FOR COLORING POLYMERS, LACQUERS CIBA-GEIGY CORPORATION (US) 1981-04-21 — — US disclosed
EP-0006154-A1 Monoazo pigments and their use in colouring high molecular-weight organic material CIBA-GEIGY AG (CH) 1980-01-09 — — EP 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 (1 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-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies BIRC5, BIRC2, XIAP BCAT2 1399/4885TDO2 3929/4885ALDH1A1 2930/4885

“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.