SCHEMBL5883435

SCHEMBL5883435

CC(CC=O)c1ncc(F)cn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 6/20 0.36
MMP13 P45452 5/20 0.36
MMP14 P50281 4/20 0.36
KCNH2 Q12809 2/20 0.36
CYP3A4 P08684 1/20 0.36
MMP1 P03956 2/20 0.35
HTR1A P08908 2/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
APLNR P35414 1/20 0.31
MMP2 P08253 4/20 0.30
ADAM17 P78536 4/20 0.30

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
SCHEMBL5882945 0.81 APLNR (0.32) APLNR
SCHEMBL272438 0.78 MEN1 (0.30)
SCHEMBL12463409 0.75 JAK2 (0.33) ADAMTS4MMP13MMP14KCNH2CYP3A4
SCHEMBL18428183 0.75 JAK2 (0.33) ADAMTS4MMP13MMP14KCNH2CYP3A4
SCHEMBL20200600 0.72 APLNR (0.41) ADAMTS4MMP13MMP14KCNH2CYP3A4
SCHEMBL20190946 0.72 APLNR (0.41) ADAMTS4MMP13MMP14KCNH2CYP3A4
SCHEMBL20188961 0.72 APLNR (0.41) ADAMTS4MMP13MMP14KCNH2CYP3A4
SCHEMBL24975585 0.71 ESR1 (0.32)
SCHEMBL20200794 0.71 ADAMTS4 (0.32) ADAMTS4MMP13MMP14KCNH2CYP3A4
SCHEMBL20200614 0.71 ADAMTS4 (0.32) ADAMTS4MMP13MMP14KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287338-A1 Metalloproteinase inhibitor compounds ASTRAZENECA AB (SE) 2006-12-21 US disclosed
US-7122551-B2 Metalloproteinase inhibitor compounds ASTRAZENECA AB (SE) 2006-10-17 US disclosed
US-20040176386-A1 Compounds ASTRAZENECA AB (SE) 2004-09-09 US disclosed
US-6734183-B2 USEFUL AS METALLOPROTEINASE INHIBITOR; PIPERAZINO-SULFONAMIDE OR PIPERIDINO-SULFONAMIDE COMPOUND ASTRAZENECA AB (SE) 2004-05-11 US disclosed
EP-1261590-A1 PIPERIDINE- AND PIPERAZINE SUBSTITUTED N-HYDROXYFORMAMIDES AS INHIBITORS OF METALLOPROTEINASES AstraZeneca AB (SE) 2002-12-04 EP disclosed
US-20020022628-A1 Compounds ASTRAZENECA AB (SE) 2002-02-21 US disclosed
WO-2001062742-A1 PIPERIDINE- AND PIPERAZINE SUBSTITUTED N-HYDROXYFORMAMIDES AS INHIBITORS OF METALLOPROTEINASES ASTRAZENECA AB (SE) 2001-08-30 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 (3 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-20020022628-A1 Compounds MMP13, MMP11, MMP3 ADAMTS4 25/4885MMP13 1/4885MMP14 12/4885
US-20060287338-A1 Metalloproteinase inhibitor compounds TIMP3, MMP2, MMP13 ADAMTS4 28/4885MMP13 3/4885MMP14 11/4885
US-20040176386-A1 Compounds MMP13, MMP11, MMP3 ADAMTS4 25/4885MMP13 1/4885MMP14 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.