SCHEMBL3002532

SCHEMBL3002532

O=S(=O)(Nc1nccs1)c1cc[c]cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
LMNA P02545 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
KDM4E B2RXH2 1/20 0.68
CYP2C9 P11712 1/20 0.68
EDNRA P25101 1/20 0.68
SLC6A4 P31645 1/20 0.68
ADRA1A P35348 1/20 0.68
PRMT6 Q96LA8 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
CYP1A2 P05177 1/20 0.61
PKM P14618 5/20 0.59
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
ATM Q13315 1/20 0.57
PPIA P62937 2/20 0.53
TSHR P16473 1/20 0.52
SCN3A Q9NY46 1/20 0.51

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
SCHEMBL326633 0.83 ALDH1A1 (0.71) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
SCHEMBL3066836 0.82 LMNA (0.79) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
Hydrochloric Acid SCHEMBL27575105 0.82 ALDH1A1 (0.69) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
SCHEMBL6312978 0.82 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
Sulfathiazole SCHEMBL11626630 0.81 ALDH1A1 (0.94) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
SCHEMBL13180843 0.81 ALDH1A1 (0.72) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
Sulfathiazole SCHEMBL30130508 0.81 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
SCHEMBL184078 0.81 ALDH1A1 (0.72) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
SCHEMBL183995 0.81 ALDH1A1 (0.72) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
SCHEMBL1650814 0.81 ALDH1A1 (0.72) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2599480-A1 Compounds for the treatment of influenza Universität Innsbruck (AT) 2013-06-05 EP claimed
US-4629790-A Quinoxaline adducts useful as anthelmintics ANGUS CHEMICAL COMPANY (US) 1986-12-16 US claimed
US-4025622-A ANTIBACTERIAL Ogura, Haruo (JA) 1977-05-24 US claimed
EP-2599480-A1 Compounds for the treatment of influenza Universität Innsbruck (AT) 2013-06-05 EP disclosed
US-20100189685-A1 Antiviral Drugs for Treatment or Prevention of Dengue Infection SIGA TECHNOLOGIES, INC. 2010-07-29 US disclosed
US-4025622-A ANTIBACTERIAL Ogura, Haruo (JA) 1977-05-24 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 (1 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-20100189685-A1 Antiviral Drugs for Treatment or Prevention of Dengue Infection EIF2AK2, HAVCR2, SNRPE ALDH1A1 2072/4885LMNA 3407/4885SMN1; SMN2 509/4885

“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.