SCHEMBL7934574

SCHEMBL7934574

COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(N5CCNC(=O)C5)ccc4o3)NC(=O)NC1=O)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 15/20 1.00
TNF P01375 5/20 0.48
ADAM10 O14672 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
MMP14 P50281 1/20 0.47

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
SCHEMBL7940641 0.93 ADAM17 (0.87) ADAM17TNF
SCHEMBL7943251 0.91 ADAM17 (0.83) ADAM17TNF
SCHEMBL10263504 0.90 ADAM17 (0.82) ADAM17TNF
SCHEMBL7943252 0.89 ADAM17 (0.80) ADAM17TNF
SCHEMBL7942353 0.89 ADAM17 (0.80) ADAM17TNF
SCHEMBL7941847 0.89 ADAM17 (0.80) ADAM17TNF
SCHEMBL10263753 0.88 ADAM17 (0.79) ADAM17TNF
SCHEMBL10263849 0.88 ADAM17 (0.79) ADAM17TNFADAM10MMP1MMP2
SCHEMBL10263279 0.88 ADAM17 (0.79) ADAM17TNF
SCHEMBL7941305 0.88 ADAM17 (0.78) ADAM17TNF

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 3 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
WO-2010054278-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 WO 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 8/4885TNF 1/4885ADAM10 12/4885

“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.