Sugi Predict

Sugi Predict / Compounds / SCHEMBL2995837

SCHEMBL2995837

SCHEMBL2995837

O=c1[nH]cc(I)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ GLA P06280 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GRIA1 P42261 1/20 0.32
▸ GRIA2 P42262 1/20 0.32
▸ GRIA3 P42263 1/20 0.32
▸ GRIA4 P48058 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ NPY5R Q15761 1/20 0.30
▸ DPYD Q12882 1/20 0.30
▸ DAO P14920 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL25044537 0.75 DAO (0.50) PKMALDH1A1GAAKDM4EGLA
SCHEMBL14407007 0.75 DAO (0.50) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL1857404 0.75 ERCC1 (0.50) PKMALDH1A1GAAKDM4EGLA
SCHEMBL23048401 0.72 GRIA1 (0.39) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL15829213 0.72 ALDH1A1 (0.39) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL14332902 0.71 NOTUM (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL15358113 0.71 ALDH1A1 (0.44) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL15807125 0.71 HTR2A (0.39) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL14959667 0.69 ALDH1A1 (0.36) ALDH1A1GLA
SCHEMBL909616 0.69 ALDH1A1 (0.56) ALDH1A1KDM4EGLATP53GRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2842939-B1 BENZAMIDE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-05-30 — — EP disclosed
US-9926291-B2 Synthesis of thiohydantoins SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2018-03-27 — — US disclosed
US-9695118-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-07-04 — — US disclosed
US-9695118-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-07-04 — — US disclosed
US-9695118-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-07-04 — — US disclosed
US-20170081308-A1 SYNTHESIS OF THIOHYDANTOINS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-03-23 — — US disclosed
US-9512103-B2 Synthesis of thiohydantoins SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-12-06 — — US disclosed
CN-103601671-B The preparation method of iodo trifluoro methyl pyridine 上海泰坦科技股份有限公司 2016-08-17 — — CN disclosed
US-20150191449-A1 SYNTHESIS OF THIOHYDANTOINS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-07-09 — — US disclosed
US-20150152047-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 — — US disclosed
EP-2842939-A1 BENZAMIDE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2015-03-04 — — EP disclosed
EP-2842939-A1 BENZAMIDE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2015-03-04 — — EP disclosed
CN-103601671-A Preparation method of iodo trifluoro methyl pyridine SHANGHAI TITAN SCIENCE & TECHNOLOGY CO LTD 2014-02-26 — — CN disclosed
WO-2013161851-A1 BENZAMIDE DERIVATIVE 中外製薬株式会社 (JP) 2013-10-31 — — WO disclosed
US-20130225821-A1 SYNTHESIS OF THIOHYDANTOINS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-08-29 — — US disclosed
US-8461343-B2 Synthesis of thiohydantoins SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-11 — — US disclosed
US-20120165346-A1 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2012-06-28 — — US disclosed
WO-2012087236-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 — — WO disclosed
US-20100190991-A1 SYNTHESIS OF THIOHYDANTOINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-07-29 — — US disclosed
WO-2008119015-A2 SYNTHESIS OF THIOHYDANTOINS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-10-02 — — 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 (6 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-20120165346-A1 Compounds and their use as BACE inhibitors BACE1, BACE2, PSEN1 PKM 2405/4885ALDH1A1 2942/4885GAA 27/4885
US-20150152047-A1 BENZAMIDE DERIVATIVE CYP3A5, HDAC6, BRD1 PKM 1385/4885ALDH1A1 56/4885GAA 82/4885
US-20150191449-A1 SYNTHESIS OF THIOHYDANTOINS TPD52L2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 PKM 3522/4885ALDH1A1 1021/4885GAA 4356/4885
US-20100190991-A1 SYNTHESIS OF THIOHYDANTOINS TPD52L2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 PKM 3522/4885ALDH1A1 1021/4885GAA 4356/4885
US-20170081308-A1 SYNTHESIS OF THIOHYDANTOINS TPD52L2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 PKM 3522/4885ALDH1A1 1021/4885GAA 4356/4885
US-20130225821-A1 SYNTHESIS OF THIOHYDANTOINS TPD52L2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 PKM 3522/4885ALDH1A1 1021/4885GAA 4356/4885

“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.