Sugi Predict

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SCHEMBL202452

SCHEMBL202452

C=C1C[C@@H](C(=O)OC)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.48
▸ MITF O75030 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ FKBP1A P62942 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ PREP P48147 3/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HTR2C P28335 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL202453 1.00 NPSR1 (0.48) NPSR1MITFMAPTHTTCYP19A1
SCHEMBL31482658 0.89 PREP (0.49) NPSR1MITFMAPTHTTFKBP1A
SCHEMBL29632734 0.89 PREP (0.49) NPSR1MITFMAPTHTTFKBP1A
SCHEMBL30440738 0.88 FKBP1A (0.49) NPSR1MITFMAPTHTTFKBP1A
SCHEMBL5765666 0.87 SMN1; SMN2 (0.49) NPSR1PTPN1PREPNPC1RAB9A
SCHEMBL5765672 0.87 SMN1; SMN2 (0.49) NPSR1PTPN1PREPNPC1RAB9A
SCHEMBL204264 0.86 MMP2 (0.51) NPSR1MITFMAPTHTTCYP19A1
SCHEMBL8225741 0.86 MMP2 (0.51) NPSR1MITFMAPTHTTCYP19A1
SCHEMBL204265 0.86 MMP2 (0.51) NPSR1MITFMAPTHTTCYP19A1
SCHEMBL1049445 0.85 NPSR1 (0.63) NPSR1MITFMAPTHTTPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440507-B Compound as apoptosis protein inhibitor and application thereof 南京圣和药物研发有限公司 2022-10-18 — — CN disclosed
US-10407445-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2019-09-10 — — US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 — — US disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 — — EP disclosed
US-20170189439-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2017-07-06 — — US disclosed
US-20170189439-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2017-07-06 — — US disclosed
US-20170042961-A1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC 2017-02-16 — — US disclosed
US-20170042961-A1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC 2017-02-16 — — US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 — — US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 — — US disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 — — EP disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 — — US disclosed
US-20050159444-A1 Bicyclic unsaturated tertiary amine compounds SANKYO COMPANY, LIMITED (JP) 2005-07-21 — — US disclosed
EP-1541571-A1 BICYCLIC UNSATURATED TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2005-06-15 — — EP disclosed
CN-1553911-A pyrrole derivatives, their preparation and their therapeutic use ������������ʽ���� 2004-12-08 — — CN disclosed
US-20040147525-A1 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2004-07-29 — — US disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 — — US disclosed
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 — — EP disclosed
EP-1361225-A1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS Sankyo Company, Limited (JP) 2003-11-12 — — EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 — — 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 (8 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPSR1 4462/4885MITF 1783/4885MAPT 2923/4885
US-20050159444-A1 Bicyclic unsaturated tertiary amine compounds IL1B, IL1A, STAT6 NPSR1 263/4885MITF 2156/4885MAPT 2244/4885
US-10407445-B2 Hepatitis C virus inhibitors HAVCR2, SLC10A1, EIF2AK2 NPSR1 2753/4885MITF 4734/4885MAPT 4142/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A NPSR1 330/4885MITF 3712/4885MAPT 4699/4885
US-20170189439-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC NPSR1 951/4885MITF 4696/4885MAPT 3587/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A NPSR1 163/4885MITF 4408/4885MAPT 4831/4885
US-20040147525-A1 Compounds substituted with bicyclic amino groups IL2, IL1B, IL4I1 NPSR1 1420/4885MITF 2025/4885MAPT 3555/4885
US-20170042961-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC NPSR1 951/4885MITF 4696/4885MAPT 3587/4885

“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.