SCHEMBL11589997

SCHEMBL11589997

C=CCS(=O)(=O)c1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PNMT P11086 1/20 0.32
▸ TXNRD1 Q16881 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2010779 0.76 ALDH1A1 (0.39) ALDH1A1KDM4ETXNRD1SMN1; SMN2
SCHEMBL4686081 0.76 ALDH1A1 (0.34) ALDH1A1TXNRD1SMN1; SMN2
SCHEMBL27572775 0.75 TXNRD1 (0.33) TXNRD1
SCHEMBL4686083 0.75 TBXAS1 (0.36) ALDH1A1KDM4ETXNRD1SMN1; SMN2
SCHEMBL8141707 0.74 KDM4E (0.58) KDM4EMEN1MAPTHTTKMT2A
SCHEMBL9370010 0.74 TXNRD1 (0.38) MEN1KMT2ATXNRD1
SCHEMBL4682203 0.73 TAAR1 (0.33) ALDH1A1TXNRD1SMN1; SMN2
SCHEMBL4682206 0.72 CA2 (0.36) ALDH1A1POLBTXNRD1SMN1; SMN2
SCHEMBL1727030 0.71 — —
SCHEMBL502541 0.71 TXNRD1 (0.44) ALDH1A1KDM4ETXNRD1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12366579-B2 Sulfur-heterocycle exchange chemistry and uses thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-07-22 — — US disclosed
US-20220214355-A1 SULFUR-HETEROCYCLE EXCHANGE CHEMISTRY AND USES THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-07-07 — — US disclosed
US-4163839-A INHIBITION OF DEAMINATING ENZYMES WHICH INACTIVATE FORMYCIN AND ADENINE ARABINOSIDE Zaidan Hojin Biselbutsu Kagaku Kenkyu Kai (JP) 1979-08-07 — — 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 (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-20220214355-A1 SULFUR-HETEROCYCLE EXCHANGE CHEMISTRY AND USES THEREOF TST, TPST2, SRMS ALDH1A1 3058/4885KDM4E 1916/4885MEN1 3852/4885
US-12366579-B2 Sulfur-heterocycle exchange chemistry and uses thereof TST, TPST2, SRMS ALDH1A1 3058/4885KDM4E 1916/4885MEN1 3852/4885

“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.

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