SCHEMBL1031355

SCHEMBL1031355

N[C@@H]1CCCC[C@H]1S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GRM5 P41594 4/20 0.33
GRM1 Q13255 2/20 0.33
CA1 P00915 4/20 0.31
CA2 P00918 4/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRG2 P18507 1/20 0.31

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
SCHEMBL28776609 1.00 THRB (0.43) THRBMEN1KMT2AGRM5GRM1
SCHEMBL1031356 1.00 THRB (0.43) THRBMEN1KMT2AGRM5GRM1
SCHEMBL1031354 1.00 THRB (0.43) THRBMEN1KMT2AGRM5GRM1
SCHEMBL1920420 0.95 THRB (0.36) THRBMEN1KMT2AGRM5GRM1
SCHEMBL1920419 0.95 THRB (0.36) THRBMEN1KMT2AGRM5GRM1
SCHEMBL524807 0.95 THRB (0.36) THRBMEN1KMT2AGRM5GRM1
Heptane SCHEMBL28774909 0.84 NAAA (0.40) EPHX1
SCHEMBL27769894 0.81 TSHR (0.38) GRM5GRM1CA1CA2CA12
Sulfuric Acid SCHEMBL10598950 0.78 THRB (0.62) THRBMEN1KMT2ACA1CA2
Sulfuric Acid SCHEMBL3383145 0.78 THRB (0.62) THRBMEN1KMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111323497-B Optical purity analysis method of pasireotide starting material 武汉武药科技有限公司 2022-07-12 CN claimed
US-20250177330-A1 Use of Thiol Compounds to Treat Neurological Disease MERCAPTOR DISCOVERIES, INC. 2025-06-05 US disclosed
US-12128014-B2 Use of thiol compounds to treat neurological disease MERCAPTOR DISCOVERIES, INC. (US) 2024-10-29 US disclosed
EP-3615013-B1 THIOL COMPOUNS FOR TREATING ACUTE TRAUMATIC BRAIN INJURY MERCAPTOR DISCOVERIES INC (US) 2024-08-14 EP disclosed
US-20230115413-A1 Use of Thiol Compounds to Treat Neurological Disease ZANKEL, TODD C, MR 2023-04-13 US disclosed
CN-111323497-B Optical purity analysis method of pasireotide starting material 武汉武药科技有限公司 2022-07-12 CN disclosed
US-10265644-B2 Enantioselective zwitterionic ion-exchange material UNIVERSITAET WIEN (AT) 2019-04-23 US disclosed
US-10265644-B2 Enantioselective zwitterionic ion-exchange material UNIVERSITAET WIEN (AT) 2019-04-23 US disclosed
EP-2276567-B1 ENANTIOSELECTIVE ZWITTERIONIC ION-EXCHANGE MATERIAL UNIV WIEN (AT) 2019-04-10 EP disclosed
EP-2276567-B1 ENANTIOSELECTIVE ZWITTERIONIC ION-EXCHANGE MATERIAL UNIV WIEN (AT) 2019-04-10 EP disclosed
US-20110121229-A1 ENANTIOSELECTIVE ZWITTERIONIC ION-EXCHANGE MATERIAL UNIVERSITAET WIEN (AT) 2011-05-26 US disclosed
CN-102066003-A Enantioselective zwitterionic ion-exchanee material UNIV WIEN 2011-05-18 CN disclosed
EP-2276567-A1 ENANTIOSELECTIVE ZWITTERIONIC ION-EXCHANEE MATERIAL Universität Wien (AT) 2011-01-26 EP disclosed
CN-101255126-B Preparation of taurine and derivatives thereof UNIV BEIJING 2010-12-01 CN disclosed
CN-101148427-B Method for preparing substituted taurine UNIV BEIJING 2010-10-27 CN disclosed
WO-2009137853-A1 ENANTIOSELECTIVE ZWITTERIONIC ION-EXCHANEE MATERIAL Universität Wien (AT) 2009-11-19 WO disclosed
WO-2009137853-A1 ENANTIOSELECTIVE ZWITTERIONIC ION-EXCHANEE MATERIAL Universität Wien (AT) 2009-11-19 WO disclosed
CN-101337914-A Method for preparing taurine and substituted taurine UNIV BEIJING CHEMICAL (CN) 2009-01-07 CN disclosed
CN-101255126-A Preparation of taurine and derivatives thereof UNIV BEIJING (CN) 2008-09-03 CN disclosed
CN-101148427-A Method for preparing substituted taurine UNIV BEIJING (CN) 2008-03-26 CN 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-12128014-B2 Use of thiol compounds to treat neurological disease TST, NLN, SLC7A11 THRB 2362/4885MEN1 4798/4885KMT2A 3488/4885
US-20230115413-A1 Use of Thiol Compounds to Treat Neurological Disease TST, NLN, SLC7A11 THRB 2362/4885MEN1 4798/4885KMT2A 3488/4885
US-20250177330-A1 Use of Thiol Compounds to Treat Neurological Disease TST, NLN, SLC7A11 THRB 2362/4885MEN1 4798/4885KMT2A 3488/4885

“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.