SCHEMBL4659249

SCHEMBL4659249

Nc1ncc(S(=O)(=O)O)cn1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 3/20 0.46
TSHR P16473 3/20 0.46
NT5E P21589 2/20 0.46
POLB P06746 3/20 0.42
TP53 P04637 3/20 0.42
THRB P10828 1/20 0.42
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GCK P35557 1/20 0.37

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
Hydrochloric Acid SCHEMBL28213025 0.98 KDM4E (0.57) KDM4EALDH1A1TSHRNT5EPOLB
SCHEMBL13825980 0.77 KDM4E (0.50) KDM4EALDH1A1TSHRNT5EPOLB
SCHEMBL20610117 0.77 CA2 (0.44) KDM4ETSHRPOLBTP53THRB
SCHEMBL1156714 0.77 KDM4E (0.50) KDM4EALDH1A1TSHRNT5EPOLB
SCHEMBL6118994 0.75 KDM4E (0.48) KDM4EALDH1A1TSHRNT5EPOLB
SCHEMBL2768266 0.75 ALDH1A1 (0.44) KDM4EALDH1A1POLBTP53THRB
SCHEMBL1641672 0.75 TP53 (0.42) KDM4EPOLBTP53THRBLMNA
SCHEMBL1700622 0.75 KDM4E (1.00) KDM4EALDH1A1TSHRNT5EHSD17B10
Hydrochloric Acid SCHEMBL27585913 0.73 KDM4E (0.96) KDM4EALDH1A1TSHRNT5EHSD17B10
SCHEMBL28293480 0.73 ALDH1A1 (0.56) KDM4EALDH1A1TSHRNT5EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684744-A4 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-12-17 EP claimed
EP-1684744-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-08-02 EP claimed
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 US claimed
WO-2005032472-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO claimed
US-12036208-B2 Methods for treating neurodegenerative disorders ALZHEON, INC. (US) 2024-07-16 US disclosed
US-12036208-B2 Methods for treating neurodegenerative disorders ALZHEON, INC. (US) 2024-07-16 US disclosed
US-11077095-B2 Methods for treating neurodegenerative disorders ALZHEON, INC. (US) 2021-08-03 US disclosed
EP-1597256-A1 N-HETEROCYCLYL-SUBSTITUTED AMINO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2005-11-23 EP disclosed
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 US disclosed
US-20050101595-A1 N-containing cycloalkyl-substituted amino-thiazole derivatives and pharmaceutical compositions for inhibiting cell proliferation and methods for their use PFIZER INC. 2005-05-12 US disclosed
WO-2004074283-A1 N-HETEROCYCLYL-SUBSTITUTED AMINO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2004-09-02 WO 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 (4 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-11077095-B2 Methods for treating neurodegenerative disorders NLN, CLN6, SNCA KDM4E 3838/4885ALDH1A1 3244/4885TSHR 4525/4885
US-12036208-B2 Methods for treating neurodegenerative disorders NLN, CLN6, SNCA KDM4E 3838/4885ALDH1A1 3244/4885TSHR 4525/4885
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors PEPD, SERPINE1, PRSS1 KDM4E 2161/4885ALDH1A1 2675/4885TSHR 2043/4885
US-20050101595-A1 N-containing cycloalkyl-substituted amino-thiazole derivatives and pharmaceutical compositions for inhibiting cell proliferation and methods for their use CCNI, MKI67, TK1 KDM4E 2240/4885ALDH1A1 2277/4885TSHR 3449/4885

“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.