Sugi Predict

Sugi Predict / Compounds / SCHEMBL2995178

SCHEMBL2995178

SCHEMBL2995178

CC(C)(C)OC(=O)c1ccc(NC(=O)C(N)Cc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.56
▸ BACE1 P56817 2/20 0.51
▸ HDAC8 Q9BY41 1/20 0.48
▸ NAMPT P43490 1/20 0.47
▸ LTA4H P09960 3/20 0.47
▸ LNPEP Q9UIQ6 2/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ ROCK1 Q13464 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CIT O14578 1/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ AAK1 Q2M2I8 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C8 P10632 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ NPR3 P17342 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL2995175 1.00 SLC7A5 (0.56) SLC7A5BACE1HDAC8NAMPTLTA4H
Hydrochloric Acid SCHEMBL23466585 0.99 SLC7A5 (0.55) SLC7A5BACE1HDAC8NAMPTLTA4H
SCHEMBL23486555 0.93 SLC7A5 (0.49) SLC7A5BACE1HDAC8LNPEPROCK2
SCHEMBL24514176 0.90 ADRB2 (0.47) SLC7A5HDAC8LNPEPROCK2RAB9A
SCHEMBL29145362 0.90 ADRB2 (0.47) SLC7A5HDAC8LNPEPROCK2RAB9A
SCHEMBL8132218 0.89 SLC7A5 (0.58) SLC7A5BACE1HDAC8LNPEPROCK2
SCHEMBL3010175 0.89 SLC7A5 (0.65) SLC7A5LNPEPROCK2STAT3
SCHEMBL3010169 0.89 SLC7A5 (0.65) SLC7A5LNPEPROCK2STAT3
SCHEMBL24514069 0.88 LNPEP (0.46) SLC7A5BACE1HDAC8LNPEPROCK2
SCHEMBL29145376 0.88 LNPEP (0.46) SLC7A5BACE1HDAC8LNPEPROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728917-B Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-12-08 — — CN disclosed
EP-3104702-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-08-10 — — EP disclosed
CN-114728917-A Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 — — CN disclosed
CN-108137549-B Substituted glycine derived FXIA inhibitors 百时美施贵宝公司 2021-07-20 — — CN disclosed
WO-2021110076-A1 OXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 深圳信立泰药业股份有限公司 2021-06-10 — — WO disclosed
US-10899743-B2 Substituted glycine derived FXIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-01-26 — — US disclosed
EP-3331872-B1 NOVEL SUBSTITUTED GLYCINE DERIVED FXIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-09-25 — — EP disclosed
EP-3331872-B1 NOVEL SUBSTITUTED GLYCINE DERIVED FXIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-09-25 — — EP disclosed
US-10336730-B2 Substituted glycine derived FXIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-02 — — US disclosed
US-20180222889-A1 NOVEL SUBSTITUTED GLYCINE DERIVED FXIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-08-09 — — US disclosed
US-9676723-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP (US) 2017-06-13 — — US disclosed
WO-2017023992-A1 NOVEL SUBSTITUTED GLYCINE DERIVED FXIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-09 — — WO disclosed
WO-2017023992-A1 NOVEL SUBSTITUTED GLYCINE DERIVED FXIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-09 — — WO disclosed
EP-3104702-A1 FACTOR XIA INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-12-21 — — EP disclosed
WO-2015123091-A1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-08-20 — — WO disclosed
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 — — EP disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 — — US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 — — US disclosed
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 — — EP disclosed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 — — 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 (4 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-10336730-B2 Substituted glycine derived FXIA inhibitors F2, TFPI, TFPI2 SLC7A5 835/4885BACE1 724/4885HDAC8 3532/4885
US-10899743-B2 Substituted glycine derived FXIA inhibitors F2, TFPI, TFPI2 SLC7A5 835/4885BACE1 724/4885HDAC8 3532/4885
US-20180222889-A1 NOVEL SUBSTITUTED GLYCINE DERIVED FXIA INHIBITORS TFPI, TFPI2, F2 SLC7A5 488/4885BACE1 639/4885HDAC8 3231/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 SLC7A5 1557/4885BACE1 641/4885HDAC8 1444/4885

“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.