SCHEMBL4906816

SCHEMBL4906816

O=C1Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.60
MAOB P27338 2/20 0.60
PRMT1 Q99873 2/20 0.53
TAAR1 Q96RJ0 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
POLB P06746 1/20 0.52
AKR1C3 P42330 1/20 0.51
SFRP1 Q8N474 1/20 0.51
MGAT2 Q10469 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
SCHEMBL1092244 0.87 MGAT2 (0.65) MAOAMAOBALDH1A1KDM4ELMNA
SCHEMBL1091461 0.81 CA12 (0.55) MAOAMAOBALDH1A1KDM4ETSHR
SCHEMBL17085971 0.79 KMT2A (0.52) PRMT1TAAR1HSD17B10ALDH1A1KDM4E
SCHEMBL29441693 0.79 KMT2A (0.52) PRMT1TAAR1HSD17B10ALDH1A1KDM4E
SCHEMBL14111831 0.78 ALDH1A1 (0.67) ALDH1A1KDM4ELMNATSHRPOLB
SCHEMBL14111818 0.78 CASP3 (0.54) MAOAMAOBALDH1A1TSHR
SCHEMBL15668360 0.78 PKM (0.58) PRMT1TAAR1HSD17B10ALDH1A1KDM4E
SCHEMBL6535436 0.75 CASP3 (0.67) MAOAMAOBALDH1A1MAPK1
SCHEMBL6536067 0.75 CA12 (0.54) MAOAMAOBTSHRMAPK1
SCHEMBL4411616 0.74 POLB (0.62) MAOAMAOBHSD17B10ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987474-B2 Inhibition of Shp2/PTPN11 protein tyrosine phosphatase by NSC-87877, NSC-117199 and their analogs UNIVERSITY OF SOUTH FLORIDA (US) 2015-03-24 US disclosed
US-20080176309-A1 8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid (NSC-87877); Src homology-2 domains; Noonan syndrome, cancer UNIVERSITY OF SOUTH FLORIDA (US) 2008-07-24 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-20080176309-A1 8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid (NSC-87877); Src homology-2 domains; Noonan syndrome, cancer PTPN7, PTPN1, PTPN2 MAOA 4821/4885MAOB 4817/4885PRMT1 3342/4885

“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.