Sugi Predict

Sugi Predict / Compounds / SCHEMBL1503632

SCHEMBL1503632

SCHEMBL1503632

CC(NC(=O)c1ccc(OCc2ccnc(Br)c2)cc1)C(C(=O)O)N1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 7/20 0.63
▸ ADAM10 O14672 2/20 0.48
▸ MMP3 P08254 1/20 0.48
▸ HTT P42858 1/20 0.43
▸ MMP1 P03956 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ GPR132 Q9UNW8 1/20 0.39
▸ HRH3 Q9Y5N1 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL1503522 0.87 ADAM17 (0.65) ADAM17ADAM10MMP3HTTMMP1
SCHEMBL1503614 0.82 ADAM17 (0.86) ADAM17ADAM10MMP3HTTMMP1
SCHEMBL1503698 0.82 ADAM17 (0.86) ADAM17ADAM10MMP3HTTMMP1
SCHEMBL12077066 0.80 ADAM17 (0.63) ADAM17ADAM10MMP3HTTMMP1
SCHEMBL1503590 0.78 ADAM17 (0.82) ADAM17ADAM10MMP3HTTMMP1
SCHEMBL12077178 0.78 ADAM17 (0.82) ADAM17ADAM10MMP3HTTMMP1
SCHEMBL1503574 0.77 ADAM17 (1.00) ADAM17ADAM10MMP3MMP1
SCHEMBL1503570 0.77 ADAM17 (1.00) ADAM17ADAM10MMP3MMP1
SCHEMBL1503525 0.76 ADAM17 (0.66) ADAM17ADAM10MMP3MMP1
SCHEMBL1503648 0.76 ADAM17 (0.59) ADAM17ADAM10MMP3HTTMMP1

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-9266848-B2 4-alkoxy-N-(2-hydroxycarbamoyl-2-piperidinyl-ethyl)-benzamide compounds as selective TACE-inhibitors for the treatment of inflammatory diseases GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-02-23 — — US disclosed
EP-2477969-B1 4-ALKOXY-N-(2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL)-BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES. GALDERMA RES & DEV (FR) 2013-10-23 — — EP disclosed
US-20120226033-A1 4-ALKOXY-N- (2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL) -BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-09-06 — — US disclosed
WO-2011033010-A1 4-ALKOXY-N- (2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL) -BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-03-24 — — 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-20120226033-A1 4-ALKOXY-N- (2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL) -BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPSAB1, CTSB, TPSB2 ADAM17 15/4885ADAM10 35/4885MMP3 169/4885

“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.