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Sugi Predict / Compounds / SCHEMBL3497604

SCHEMBL3497604

SCHEMBL3497604

CCCOC1CCC([C@H](C(=O)NO)N(Cc2ccncc2)S(=O)(=O)c2ccc(OCC)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 11/20 0.44
▸ MMP13 P45452 10/20 0.44
▸ MMP9 P14780 8/20 0.44
▸ MMP8 P22894 7/20 0.44
▸ POLB P06746 1/20 0.42
▸ BMP1 P13497 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NR2F2 P24468 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CXCR3 P49682 1/20 0.39

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
SCHEMBL6907245 1.00 MMP2 (0.44) MMP2MMP13MMP9MMP8POLB
SCHEMBL6056852 1.00 MMP2 (0.44) MMP2MMP13MMP9MMP8POLB
SCHEMBL6056850 1.00 MMP2 (0.44) MMP2MMP13MMP9MMP8POLB
Hydrochloric Acid SCHEMBL7423181 0.99 MMP2 (0.44) MMP2MMP13MMP9MMP8POLB
Hydrochloric Acid SCHEMBL7423176 0.99 MMP2 (0.44) MMP2MMP13MMP9MMP8POLB
Hydrochloric Acid SCHEMBL7546293 0.96 MMP2 (0.46) MMP2MMP13MMP9MMP8POLB
Hydrochloric Acid SCHEMBL7546299 0.96 MMP2 (0.46) MMP2MMP13MMP9MMP8POLB
Hydrochloric Acid SCHEMBL7545355 0.95 MMP13 (0.45) MMP2MMP13MMP9MMP8BMP1
Hydrochloric Acid SCHEMBL7545358 0.95 MMP13 (0.45) MMP2MMP13MMP9MMP8BMP1
SCHEMBL6056808 0.95 POLB (0.46) MMP2MMP13MMP9MMP8POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168089-A1 UTILIZATION OF TACE INHIBITORS FOR THE TREATMENT OF ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-07-01 — — US claimed
US-20040122011-A1 Method of using a COX-2 inhibitor and a TACE inhibitors as a combination therapy PHARMACIA CORPORATION 2004-06-24 — — US claimed
US-20210393632-A1 EGFR INHIBITORS FOR TREATING KERATODERMAS UNIVERSITÉ PARIS CITÉ (FR) 2021-12-23 — — US disclosed
US-20100168089-A1 UTILIZATION OF TACE INHIBITORS FOR THE TREATMENT OF ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-07-01 — — US disclosed
WO-2004096206-A2 THERAPEUTIC COMBINATION OF A COX-2 INHIBITOR AND A TACE INHIBITOR PHARMACIA CORPORATION (US) 2004-11-11 — — WO disclosed
US-20040122011-A1 Method of using a COX-2 inhibitor and a TACE inhibitors as a combination therapy PHARMACIA CORPORATION 2004-06-24 — — 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 (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-20040122011-A1 Method of using a COX-2 inhibitor and a TACE inhibitors as a combination therapy PTGES2, PTGS2, PTGIS MMP2 60/4885MMP13 87/4885MMP9 21/4885
US-20210393632-A1 EGFR INHIBITORS FOR TREATING KERATODERMAS MAP3K3, GRK3, TAS1R3 MMP2 4394/4885MMP13 1934/4885MMP9 4188/4885
US-20100168089-A1 UTILIZATION OF TACE INHIBITORS FOR THE TREATMENT OF ACNE MMP17, MMP25, TIMP3 MMP2 7/4885MMP13 18/4885MMP9 29/4885

“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.