SCHEMBL6916246

SCHEMBL6916246

O=S(=O)(Nn1ncnn1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
KEAP1 Q14145 2/20 0.40
IL1RN P18510 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL5169740 0.71 CYP2C9 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL7199358 0.70 TSHR (0.44) CA1CA2MMP1MMP2MMP9
Hydrochloric Acid SCHEMBL8402066 0.67 CYP1A2 (0.34) ALDH1A1HSD17B10MAPK1CYP2C9MEN1
SCHEMBL16720110 0.66 CA1 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL20242664 0.64 CA1 (0.58) CA1CA2MMP1MMP2MMP9
SCHEMBL10974861 0.64 CA1 (0.58) CA1CA2MMP1MMP2MMP9
SCHEMBL8639257 0.63 ADRA2A (0.42) CA1CA2MMP1MMP2MMP9
SCHEMBL2084284 0.63 ATM (0.51) CA1CA2MMP1MMP2MMP9
SCHEMBL798074 0.63 CA1 (0.64) CA1CA2MMP1MMP2MMP9
SCHEMBL992761 0.63 CA1 (0.64) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient TORAY INDUSTRIES, INC. (JP) 2004-02-26 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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient ICAM1, VCAM1, EPCAM CA1 4672/4885CA2 4521/4885MMP1 196/4885

“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.