SCHEMBL4292057

SCHEMBL4292057

CCCN/C(=N\C#N)NCCCC[C@H](C(N)=O)N(O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.38
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
SCN9A Q15858 3/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1B Q00975 1/20 0.33
NR3C1 P04150 1/20 0.32
FFAR1 O14842 1/20 0.32
EPHX2 P34913 4/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP2J2 P51589 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32

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
SCHEMBL4290484 0.92 LMNA (0.38) MMP2MMP9MMP14NR3C1LMNA
SCHEMBL4299320 0.81 KMT2A (0.39) ALDH1A1SCN9AMMP2MMP9MEN1
SCHEMBL4372258 0.79 F2 (0.41) ALDH1A1RAB9ASCN9AMMP2MMP9
SCHEMBL1800002 0.78 ADAM17 (0.45) MMP2MMP9MMP14
SCHEMBL4297273 0.73 CA2 (0.39) SCN9A
SCHEMBL4380644 0.73 MMP2 (0.43) MMP2MMP9MMP14MEN1KMT2A
SCHEMBL4373799 0.73 MMP2 (0.38) TBXA2RALDH1A1SCN9AMMP2MMP9
SCHEMBL1799173 0.71 MMP2 (0.41) MMP2MMP9MMP14LMNA
SCHEMBL1799495 0.71 ADAM17 (0.47) MMP2MMP9MMP14
SCHEMBL1801225 0.71 BMP1 (0.51) MMP2MMP9MMP14

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-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 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-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 TBXA2R 4869/4885ALDH1A1 4310/4885RAB9A 661/4885

“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.