Sugi Predict

Sugi Predict / Compounds / SCHEMBL4621633

SCHEMBL4621633

SCHEMBL4621633

COc1ccccc1C(=O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.58
▸ HTT P42858 2/20 0.56
▸ CTSD P07339 1/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ CA12 O43570 2/20 0.56
▸ CA1 P00915 2/20 0.56
▸ CA2 P00918 2/20 0.56
▸ CA9 Q16790 2/20 0.56
▸ HPGD P15428 3/20 0.53
▸ TP53 P04637 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ABCG2 Q9UNQ0 1/20 0.51
▸ CA7 P43166 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ KCNK3 O14649 1/20 0.50
▸ KCNK9 Q9NPC2 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL29875455 1.00 STAT3 (0.58) STAT3HTTCTSDNPC1RAB9A
SCHEMBL870484 0.89 CTSD (0.62) STAT3HTTCTSDNPC1RAB9A
SCHEMBL28386596 0.85 CTSD (0.58) STAT3HTTCTSDNPC1RAB9A
SCHEMBL11140202 0.85 STAT3 (0.56) STAT3HTTCTSDNPC1RAB9A
SCHEMBL5704292 0.84 RAB9A (0.62) HTTCTSDNPC1RAB9AHPGD
SCHEMBL28194733 0.83 CYP3A4 (0.57) STAT3HTTCTSDNPC1RAB9A
SCHEMBL3527 0.83 HTT (0.78) STAT3HTTCTSDNPC1RAB9A
SCHEMBL29365231 0.83 HTT (0.78) STAT3HTTCTSDNPC1RAB9A
SCHEMBL344646 0.82 NPC1 (0.52) HTTNPC1RAB9ACA12CA1
SCHEMBL4638177 0.82 CTSD (0.59) STAT3HTTCTSDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105461671-A Method for preparing alpha, beta-unsaturated butyrolactone from keto acid and alkyne UNIV SOOCHOW 2016-04-06 — — CN claimed
CN-115677443-A Method for constructing 1, 4-diketone compound by olefin 1, 2-dicarbonylation 中国科学院理化技术研究所 2023-02-03 — — CN disclosed
CN-106660991-B Antiproliferative compounds and methods of use thereof 细胞基因公司 2020-03-13 — — CN disclosed
CN-110183341-A 1,2- dicarbapentaborane class compound and its synthetic method 华东师范大学 2019-08-30 — — CN disclosed
EP-3196185-B1 ASYMMETRICAL HYDROGENATION REACTION OF KETONIC ACID COMPOUND ZHEJIANG JIUZHOU PHARMA SCIENCE & TECH CO LTD (CN) 2019-06-12 — — EP disclosed
CN-109776488-A A kind of synthetic method of the alpha-keto amide class compound of ortho position aldehyde radical 江南大学 2019-05-21 — — CN disclosed
CN-109232282-A A kind of synthetic method of 2- aminobenzophenone class compound 新乡医学院 2019-01-18 — — CN disclosed
CN-108101856-A Acyl group substitutes the preparation method of pyrazine compounds 河南农业大学 2018-06-01 — — CN disclosed
CN-105461671-B Method for preparing alpha, beta-unsaturated butyrolactone from keto acid and alkyne 苏州大学 2017-11-07 — — CN disclosed
US-20170260119-A1 Asymmetrical hydrogenation reaction of ketonic acid compound ZHEJIANG JIUZHOU PHARMA SCIENCE&TECHNOLOGY CO LTD (CN) 2017-09-14 — — US disclosed
EP-1259505-A2 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-11-27 — — EP disclosed
EP-1255751-A2 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES AND THEIR USE AS LIGANDS FOR V1B OR V1B AND V1A ARGININE-VASOPRESSIN RECEPTORS SANOFI-SYNTHELABO (FR) 2002-11-13 — — EP disclosed
EP-1254134-A2 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES,AND THEIR USE AS LIGANDS FOR V1B OR V1B AND V1A ARGININE-VASOPRESSIN-RECEPTORS SANOFI-SYNTHELABO (FR) 2002-11-06 — — EP disclosed
WO-2002078686-A1 RETINYL CARBONATES IN COSMETIC AND DERMATOLOGICAL PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2002-10-10 — — WO disclosed
WO-2001098295-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-12-27 — — WO disclosed
WO-2001064668-A2 1,3-DIHYDRO-2H-INDOL-2-ONE, AND THEIR USE AS V1B OR BOTH V1B AND V1A ARGININE-VASOPRESSIN LIGAND RECEPTORS SANOFI-SYNTHELABO (FR) 2001-09-07 — — WO disclosed
WO-2001055134-A2 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES AND THEIR USE AS LIGANDS FOR V1B AND V1A ARGININE-VASSOPRESSIN RECEPTORS SANOFI-SYNTHELABO (FR) 2001-08-02 — — WO disclosed
WO-2001055130-A2 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES AND THEIR USE AS LIGANDS FOR V1B AND V1A ARGININE-VASOPRESSIN RECEPTORS SANOFI-SYNTHELABO (FR) 2001-08-02 — — WO disclosed
US-5936097-A ANTITUMOR AGENTS RHONE-POULENC RORER, S.A. (FR) 1999-08-10 — — US disclosed
US-5782968-A Method for producing black pigment NIPPON OIL CO., LTD. (JP) 1998-07-21 — — 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 (1 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-20170260119-A1 Asymmetrical hydrogenation reaction of ketonic acid compound KHK, PKLR, BCKDK STAT3 4591/4885HTT 2112/4885CTSD 4031/4885

“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.