Sugi Predict

Sugi Predict / Compounds / SCHEMBL87638

SCHEMBL87638

SCHEMBL87638

CC(=O)O[CH]c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.48
▸ AKR1C3 P42330 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.43
▸ TSHR P16473 2/20 0.43
▸ RECQL P46063 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ TNKS O95271 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL2907648 0.78 KMT2A (0.44) TDP1AKR1C3GLAALDH1A1TSHR
SCHEMBL2985370 0.78 GLA (0.55) TDP1AKR1C3GLAALDH1A1RECQL
SCHEMBL6957862 0.78 LMNA (0.43) ALDH1A1TSHRRECQLMAPTLMNA
SCHEMBL58005 0.78 GLA (0.55) TDP1AKR1C3GLAALDH1A1RECQL
SCHEMBL19923136 0.78 GLA (0.55) TDP1AKR1C3GLAALDH1A1RECQL
SCHEMBL8055251 0.78 LMNA (0.50) TDP1ALDH1A1LMNASMN1; SMN2FBP1
SCHEMBL27834761 0.77 MAPT (0.43) TDP1AKR1C3GLAALDH1A1TSHR
SCHEMBL5197700 0.77 GLA (0.53) TDP1AKR1C3GLAALDH1A1RECQL
SCHEMBL5197712 0.77 GLA (0.53) TDP1AKR1C3GLAALDH1A1RECQL
SCHEMBL4200464 0.77 ELANE (0.43) TDP1AKR1C3GLAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716386-A Novel exosome inhibitor and preparation method thereof 北京和理咨询有限公司 2022-07-08 — — CN claimed
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 — — US claimed
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF HONG KONG BAPTIST UNIVERSITY (HK) 2016-12-15 — — US claimed
US-8841257-B2 Inhibitors of STAT3 and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-09-23 — — US claimed
US-8129338-B2 Nitric oxide-blocked cross-linked tetrameric hemoglobin IKOR, INC. (US) 2012-03-06 — — US claimed
US-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-09 — — US claimed
WO-2010118309-A2 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-10-14 — — WO claimed
EP-2094292-A2 NITRIC OXIDE-BLOCKED CROSS-LINKED TETRAMERIC HEMOGLOBIN Ikor, Inc. (US) 2009-09-02 — — EP claimed
EP-1952845-A1 Use of an astaxathin derivative for cosmetic purposes DSMIP Assets B.V. (NL) 2008-08-06 — — EP claimed
WO-2008051689-A2 NITRIC OXIDE-BLOCKED CROSS-LINKED TETRAMERIC HEMOGLOBIN IKOR, INC. (US) 2008-05-02 — — WO claimed
US-4798828-A LACTAMASE INHIBITORS BEECHAM GROUP P.L.C. (GB) 1989-01-17 — — US claimed
US-4699979-A 7-amino-3-propenylcephalosporanic acid and esters thereof BRISTOL-MEYERS COMPANY (US) 1987-10-13 — — US claimed
EP-0210474-A1 Substituted 3-amino-sydnone imines, method for their preparation, their use and pharmaceutical compositions containing these compounds CASSELLA Aktiengesellschaft (DE) 1987-02-04 — — EP claimed
US-4560550-A Synergistic compositions containing 6-alkylidene penems and their use BEECHAM GROUP P.L.C. (GB) 1985-12-24 — — US claimed
US-4485110-A ANTIBIOTICS, BACTERICIDES BEECHAM GROUP LIMITED (GB) 1984-11-27 — — US claimed
EP-0013617-B1 PENICILLIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING CERTAIN OF THESE COMPOUNDS BEECHAM GROUP PLC (GB) 1984-07-04 — — EP claimed
US-4406887-A PENICILLINS AND CEPHALOSPORIN MIXTURES BRISTOL-MYERS COMPANY (US) 1983-09-27 — — US claimed
US-4380512-A INHIBITORS OF 3-LACTAMASES BRISTOL-MYERS COMPANY (US) 1983-04-19 — — US claimed
US-4198503-A 3-Carbamoyl substituted-7-ureido substituted cephalosporins BEECHAM GROUP LIMITED (GB) 1980-04-15 — — US claimed
US-4160086-A 3-Heterocyclicthio-7-α-carboxy 2-aryl acetamido cephalosporanic acid BEECHAM GROUP LIMITED (GB) 1979-07-03 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF STAT3, JAK2, STAT6 TDP1 2919/4885AKR1C3 4161/4885GLA 4509/4885
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF TPD52L2, TRDMT1, MCTS1 TDP1 264/4885AKR1C3 377/4885GLA 3509/4885

“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.