SCHEMBL660034

SCHEMBL660034

Cc1ccc(CCCS(N)(=O)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
CA2 P00918 9/20 0.49
CA1 P00915 4/20 0.48
CA9 Q16790 4/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2A6 P11509 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
IGF1R P08069 1/20 0.47
ALOX15 P16050 1/20 0.47
CA12 O43570 3/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
MEN1 O00255 1/20 0.44
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43

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
SCHEMBL1044703 0.88 RECQL (0.64) RECQLCA2CA1CA9ALDH1A1
SCHEMBL18542695 0.82 ALDH1A1 (0.50) CA2CA1CA9ALDH1A1CYP3A4
SCHEMBL24670084 0.82 CA2 (0.52) RECQLCA2CA1CA9SMN1; SMN2
SCHEMBL18124423 0.80 ALDH1A1 (0.77) RECQLCA2CA1CA9ALDH1A1
SCHEMBL7670239 0.80 RECQL (0.50) RECQLCA2CA1CA9TAAR1
SCHEMBL23654223 0.80 ALDH1A1 (0.48) CA2CA1CA9ALDH1A1CYP3A4
SCHEMBL2093098 0.79 CA1 (0.58) CA2CA1CA9ALDH1A1TAAR1
SCHEMBL1793990 0.79 CA2 (0.72) RECQLCA2CA1CA9CA12
SCHEMBL7110904 0.78 ALDH1A1 (0.50) CA2CA1CA9ALDH1A1CYP3A4
SCHEMBL4061411 0.78 CA2 (0.70) RECQLCA2CA1CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELI LILLY AND COMPANY (US) 2020-07-07 US disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US disclosed
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2018-09-20 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 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 (7 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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 RECQL 2590/4885CA2 198/4885CA1 88/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 RECQL 1260/4885CA2 306/4885CA1 1049/4885
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 RECQL 2590/4885CA2 198/4885CA1 88/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 RECQL 1260/4885CA2 306/4885CA1 1049/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 RECQL 749/4885CA2 101/4885CA1 1342/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 RECQL 2590/4885CA2 198/4885CA1 88/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 RECQL 1260/4885CA2 306/4885CA1 1049/4885

“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.