Sugi Predict

Sugi Predict / Compounds / SCHEMBL4142338

SCHEMBL4142338

SCHEMBL4142338

OCc1nc(-c2ccccc2)co1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 5/20 0.49
▸ AKR1B1 P15121 1/20 0.46
▸ ENPP3 O14638 2/20 0.45
▸ ENPP1 P22413 2/20 0.45
▸ DAGLA Q9Y4D2 1/20 0.43
▸ CES1 P23141 1/20 0.42
▸ HSD11B1 P28845 2/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ S1PR1 P21453 4/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39

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
SCHEMBL9440855 0.82 DAGLA (0.46) AKR1B1ENPP3ENPP1DAGLACES1
SCHEMBL5999162 0.81 S1PR1 (0.42) ENPP3ENPP1ADRB2ADRB1ADRB3
SCHEMBL9833295 0.81 NOTUM (0.51) NOTUMENPP3ENPP1ADRB2ADRB1
SCHEMBL9880273 0.81 S1PR1 (0.50) AKR1B1ENPP3ENPP1DAGLAHSD11B1
SCHEMBL4150532 0.81 ALDH1A1 (0.46) AKR1B1ENPP3ENPP1DAGLACES1
SCHEMBL28956300 0.81 NOTUM (0.46) NOTUMAKR1B1ENPP3ENPP1DAGLA
SCHEMBL6594295 0.81 AKR1B1 (0.49) AKR1B1ENPP3ENPP1DAGLACES1
SCHEMBL201772 0.81 AKR1B1 (0.43) AKR1B1ENPP3ENPP1DAGLACES1
SCHEMBL13335153 0.80 AKR1B1 (0.59) AKR1B1DAGLACES1HSD11B1
SCHEMBL8334940 0.78 S1PR1 (0.53) AKR1B1ENPP3ENPP1DAGLAHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1063235-B1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LTD (JP) 2004-05-12 — — EP claimed
US-20030186976-A1 Benzofurylpyrone derivatives TEIJIN LIMITED, MICROBIAL CHEMISTRY RESEARCH FOUNDATION 2003-10-02 — — US claimed
EP-1063235-A1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LIMITED (JP) 2000-12-27 — — EP claimed
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2023-12-21 — — US disclosed
US-11414392-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO HEALTH, INC. (US) 2022-08-16 — — US disclosed
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2021-05-13 — — US disclosed
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2021-05-13 — — US disclosed
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 — — US disclosed
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 — — US disclosed
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2019-10-10 — — US disclosed
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2019-10-10 — — US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 — — US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 — — US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 — — US disclosed
WO-2017040963-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-03-09 — — WO disclosed
WO-2017040963-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-03-09 — — WO disclosed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 — — US disclosed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 — — US disclosed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 — — US disclosed
CN-1834091-A Sustituted Gly derivative for treating diabetes and adiposis SHENG ZELIN (CN) 2006-09-20 — — CN 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-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 NOTUM 4006/4885AKR1B1 669/4885ENPP3 3710/4885
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 NOTUM 4006/4885AKR1B1 669/4885ENPP3 3710/4885
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 NOTUM 4006/4885AKR1B1 669/4885ENPP3 3710/4885
US-11414392-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 NOTUM 4006/4885AKR1B1 669/4885ENPP3 3710/4885
US-20030186976-A1 Benzofurylpyrone derivatives PLIN5, ACSL5, PLIN1 NOTUM 187/4885AKR1B1 491/4885ENPP3 3953/4885
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 NOTUM 4006/4885AKR1B1 669/4885ENPP3 3710/4885
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC1, HDAC2 NOTUM 3540/4885AKR1B1 1527/4885ENPP3 3609/4885
US-20090170907-A1 Chemical Compounds NR3C2, NR5A1, NR3C1 NOTUM 562/4885AKR1B1 123/4885ENPP3 1286/4885

“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.