Sugi Predict

Sugi Predict / Compounds / SCHEMBL69853

SCHEMBL69853

SCHEMBL69853

NNc1ccc(OC=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.40
▸ CA1 P00915 4/20 0.40
▸ CA9 Q16790 4/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ MAPT P10636 3/20 0.35

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
SCHEMBL172489 0.81 MAPT (0.48) LMNATDP1CYP3A4PTGS2MAPT
SCHEMBL6454577 0.80 ALDH1A1 (0.38) CA2CA1CA9CA12CA7
SCHEMBL7295754 0.77 ALDH1A1 (0.50) LMNATDP1MAPTMEN1ALDH1A1
SCHEMBL12881975 0.77 APP (0.40) CA2CA1CA12CYP3A4MAPT
SCHEMBL18683261 0.77 ALDH1A1 (0.41) TDP1IDO1MAPTMEN1ALDH1A1
SCHEMBL10465750 0.74 ALDH1A1 (0.32) ALDH1A1GAANPC1RAB9A
SCHEMBL28652357 0.74 — —
SCHEMBL10466115 0.74 — —
SCHEMBL2624868 0.73 ALDH1A1 (0.50) TDP1CYP3A4MAPTMEN1ALDH1A1
SCHEMBL10465749 0.72 NPC1 (0.31) TDP1MAPTGAAL3MBTL1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902728-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-02-27 — — US disclosed
US-20160185785-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2016-06-30 — — US disclosed
US-8722905-B2 Dyes and photoelectric conversion devices containing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2014-05-13 — — US disclosed
US-20130261314-A1 DYES AND PHOTOELECTRIC CONVERSION DEVICES CONTAINING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-10-03 — — US disclosed
US-8129421-B2 Method for preparing 4-[3,5-bis(2-hydroxyphenyl)-[1,2,4]triazol-1-yl]-benzoic acid Farmak, A S (CZ) 2012-03-06 — — US disclosed
US-20110034702-A1 METHOD FOR PREPARING 4-[3,5-BIS(2-HYDROXYPHENYL)-[1,2,4]TRIAZOL-1-YL]-BENZOIC ACID FARMAK, A.S. (CZ) 2011-02-10 — — US 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 (3 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-20110034702-A1 METHOD FOR PREPARING 4-[3,5-BIS(2-HYDROXYPHENYL)-[1,2,4]TRIAZOL-1-YL]-BENZOIC ACID HAO2, HPD, HAO1 CA2 289/4885CA1 470/4885CA9 501/4885
US-20160185785-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, UBA7, UBXN1 CA2 4706/4885CA1 3636/4885CA9 4325/4885
US-20130261314-A1 DYES AND PHOTOELECTRIC CONVERSION DEVICES CONTAINING THE SAME CRY2, CRY1, PRDX1 CA2 482/4885CA1 387/4885CA9 680/4885

“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.