Sugi Predict

Sugi Predict / Compounds / SCHEMBL3585379

SCHEMBL3585379

SCHEMBL3585379

OCC1CCOc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 1/20 0.41
▸ ICAM1 P05362 1/20 0.41
▸ ITGAL P20701 1/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ MAP3K14 Q99558 1/20 0.39
▸ LTB4R Q15722 1/20 0.38
▸ LTB4R2 Q9NPC1 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CRHBP P24387 2/20 0.38
▸ CRHR2 Q13324 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ SSTR4 P31391 1/20 0.36
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR1A P08908 2/20 0.34

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
SCHEMBL29961247 1.00 ITGB2 (0.41) ITGB2ICAM1ITGALKCNH2MAP3K14
SCHEMBL7145240 0.89 ITGB2 (0.39) ITGB2ICAM1ITGALKCNH2MAP3K14
SCHEMBL5174865 0.86 KCNH2 (0.44) ITGB2ICAM1ITGALKCNH2MAP3K14
SCHEMBL29960346 0.86 KCNH2 (0.44) ITGB2ICAM1ITGALKCNH2MAP3K14
SCHEMBL4223377 0.81 ITGB2 (0.41) ITGB2ICAM1ITGALKCNH2LMNA
SCHEMBL22143980 0.81 KCNH2 (0.43) ITGB2ICAM1ITGALKCNH2MAP3K14
SCHEMBL27835409 0.81 ITGB2 (0.41) ITGB2ICAM1ITGALKCNH2MAP3K14
SCHEMBL19141630 0.81 ITGB2 (0.41) ITGB2ICAM1ITGALKCNH2MAP3K14
SCHEMBL805497 0.81 KCNH2 (0.43) ITGB2ICAM1ITGALKCNH2MAP3K14
SCHEMBL29960467 0.81 ITGB2 (0.41) ITGB2ICAM1ITGALKCNH2LMNA

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
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 — — US disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 — — US disclosed
WO-2020147848-A1 TRICYCLIC SUBSTITUTED OXASPIRO DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海海雁医药科技有限公司 2020-07-23 — — WO disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 — — US disclosed
US-20180319793-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-11-08 — — US disclosed
US-9994562-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-06-12 — — US disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 — — WO disclosed
EP-2970211-B1 HISTONE DEMETHYLASE INHIBITORS QUANTICEL PHARMACEUTICALS INC (US) 2017-07-26 — — EP disclosed
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-02-11 — — US disclosed
EP-2970211-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals Inc (US) 2016-01-20 — — EP disclosed
US-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 — — US disclosed
EP-2324032-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2014-10-01 — — EP disclosed
WO-2014151106-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-25 — — WO disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 — — US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 — — US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 — — US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 — — US disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 — — US disclosed
WO-2010021680-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-02-25 — — WO disclosed
EP-2128154-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2009-12-02 — — 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 (7 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-20230149414-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB ITGB2 1609/4885ICAM1 4818/4885ITGAL 3404/4885
US-20180319793-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C ITGB2 4514/4885ICAM1 4005/4885ITGAL 4371/4885
US-20110218192-A1 Inhibitors Of Beta-Secretase BACE1, BACE2, APP ITGB2 3420/4885ICAM1 3659/4885ITGAL 3964/4885
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C ITGB2 4514/4885ICAM1 4005/4885ITGAL 4371/4885
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C ITGB2 241/4885ICAM1 547/4885ITGAL 929/4885
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF ORMDL3, OXA1L, OGFRL1 ITGB2 809/4885ICAM1 1530/4885ITGAL 428/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C ITGB2 241/4885ICAM1 547/4885ITGAL 929/4885

“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.