SCHEMBL10200839

SCHEMBL10200839

O=C1NC(=O)C(CNCl)(c2ccc(Br)cc2)N1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 6/20 0.41
MMP14 P50281 4/20 0.37
MMP2 P08253 3/20 0.37
MMP3 P08254 2/20 0.37
ADAMTS4 O75173 1/20 0.37
MMP13 P45452 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
CNR1 P21554 1/20 0.35
ADAM10 O14672 1/20 0.34
MMP1 P03956 1/20 0.34
MMP8 P22894 2/20 0.33
MMP17 Q9ULZ9 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL13363340 1.00 ADAM17 (0.41) ADAM17MMP14MMP2MMP3ADAMTS4
SCHEMBL6006270 0.84 ADAM17 (0.47) ADAM17MMP14MMP2ADAM10MMP1
SCHEMBL10112552 0.81 TNF (0.43) ADAM17MMP14MMP2MMP3MMP13
SCHEMBL7900340 0.79 ADAM17 (0.41) ADAM17MMP14MMP2MMP13CNR1
SCHEMBL3412312 0.79 ADAM17 (0.44) ADAM17MMP2MMP3CNR1
SCHEMBL10112557 0.79 ADAM17 (0.41) ADAM17MMP14MMP2MMP13CNR1
SCHEMBL14978283 0.74 NPC1 (0.39) ADAM17MMP14MMP2MMP3ADAMTS4
SCHEMBL24927987 0.68 CYP3A4 (0.39) ADAM17MMP14MMP2MMP3ADAMTS4
SCHEMBL6839882 0.68 ADAM17 (0.47) ADAM17MMP14MMP2MMP3MMP13
SCHEMBL16161439 0.66 MMP14 (0.74) ADAM17MMP14MMP2MMP3MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 ADAM17 8/4885MMP14 31/4885MMP2 26/4885

“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.