SCHEMBL4243158

SCHEMBL4243158

CCc1cc(S(=O)(=O)O)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ESR1 P03372 3/20 0.48
ESR2 Q92731 3/20 0.48
POLB P06746 1/20 0.47
SERPINE1 P05121 5/20 0.46
BACE1 P56817 1/20 0.46
LMNA P02545 2/20 0.45
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
HSD17B1 P14061 1/20 0.43
HIF1A Q16665 1/20 0.42
CA2 P00918 1/20 0.41
PTPN11 Q06124 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
SCHEMBL5157299 0.86 POLB (0.62) ALDH1A1ESR1ESR2POLBSERPINE1
SCHEMBL29599097 0.86 POLB (0.62) ALDH1A1ESR1ESR2POLBSERPINE1
SCHEMBL4901587 0.86 POLB (0.62) ALDH1A1ESR1ESR2POLBSERPINE1
SCHEMBL19196134 0.85 AMY1A (0.47) HSD17B10ALDH1A1HPGDKDM4EESR1
SCHEMBL1577726 0.84 ESR1 (0.48) ESR1ESR2POLBSERPINE1BACE1
SCHEMBL29567634 0.84 ALDH1A1 (0.47) HSD17B10ALDH1A1HPGDKDM4EESR1
SCHEMBL27584947 0.82 ESR1 (0.47) ESR1ESR2POLBSERPINE1BACE1
SCHEMBL28297127 0.82 GABRA1 (0.56) HSD17B10ALDH1A1HPGDKDM4EPOLB
SCHEMBL12486810 0.81 RPS6KA3 (0.56) HSD17B10ALDH1A1POLBCA2
SCHEMBL12486812 0.81 RPS6KA3 (0.56) HSD17B10ALDH1A1POLBCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10835623-B2 Manganese-based chelate conjugates for molecular MR imaging THE GENERAL HOSPITAL CORPORATION (US) 2020-11-17 US disclosed
US-20190001003-A1 MANGANESE-BASED CHELATE CONJUGATES FOR MOLECULAR MR IMAGING THE GENERAL HOSPITAL CORPORATION 2019-01-03 US disclosed
US-20180118968-A1 TOPCOAT COMPOSITIONS CONTAINING FLUORINATED THERMAL ACID GENERATORS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2018-05-03 US disclosed
US-20090082590-A1 4-Mercaptophenyl ester of acetic acid and process for producing the same SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2009-03-26 US disclosed
CN-101175721-A Acetic acid (4-mercaptophenyl) ester and method for producing same SUMITOMO SEIKA CHEMICALS (JP) 2008-05-07 CN disclosed
EP-1882683-A1 4-MERCAPTOPHENYL ESTER OF ACETIC ACID AND PROCESS FOR PRODUCING THE SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2008-01-30 EP disclosed
EP-0714785-B1 Sulfonated phenol (salt) containing color-developing agents and color-developing sheets MITSUI CHEMICALS INC (JP) 1999-01-07 EP disclosed
US-5647896-A MULTIVALENT SALT OF A SALICYLIC ACID DERIVATIVE, SULFONATED PHENOL MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-15 US disclosed
EP-0714785-A1 Sulfonated phenol (salt) containing color-developing agents and color-developing sheets MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-06-05 EP disclosed
EP-0283898-A2 Preparation process of aryldiazidsulfonic acids HOECHST CELANESE CORPORATION (US) 1988-09-28 EP 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-20190001003-A1 MANGANESE-BASED CHELATE CONJUGATES FOR MOLECULAR MR IMAGING MPI, MAG, MNS1 HSD17B10 4727/4885ALDH1A1 4356/4885HPGD 3202/4885
US-20090082590-A1 4-Mercaptophenyl ester of acetic acid and process for producing the same MPST, ACMSD, ACACA HSD17B10 156/4885ALDH1A1 17/4885HPGD 1535/4885
US-10835623-B2 Manganese-based chelate conjugates for molecular MR imaging MPI, MAG, MNS1 HSD17B10 4727/4885ALDH1A1 4356/4885HPGD 3202/4885

“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.