SCHEMBL6838720

SCHEMBL6838720

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1ccccc1)C(=O)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FCER2 P06734 13/20 1.00
▸ MMP1 P03956 12/20 1.00
▸ ADAM17 P78536 3/20 1.00
▸ MMP2 P08253 7/20 0.77
▸ MMP3 P08254 5/20 0.77
▸ MMP9 P14780 3/20 0.77
▸ MMP7 P09237 3/20 0.77
▸ MMP8 P22894 3/20 0.77
▸ MMP13 P45452 2/20 0.77
▸ MMP14 P50281 2/20 0.77
▸ MMP12 P39900 1/20 0.70

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
SCHEMBL13274326 1.00 FCER2 (1.00) FCER2MMP1ADAM17MMP2MMP3
SCHEMBL3498576 0.90 FCER2 (0.81) FCER2MMP1ADAM17MMP2MMP3
Batimastat SCHEMBL4333 0.87 MMP1 (1.00) FCER2MMP1ADAM17MMP2MMP3
Batimastat SCHEMBL20793035 0.87 MMP1 (1.00) FCER2MMP1ADAM17MMP2MMP3
Batimastat SCHEMBL22803645 0.87 MMP1 (1.00) FCER2MMP1ADAM17MMP2MMP3
Batimastat SCHEMBL17521974 0.87 MMP1 (1.00) FCER2MMP1ADAM17MMP2MMP3
Batimastat SCHEMBL12561510 0.87 MMP1 (1.00) FCER2MMP1ADAM17MMP2MMP3
Batimastat SCHEMBL10052355 0.87 MMP1 (1.00) FCER2MMP1ADAM17MMP2MMP3
Batimastat SCHEMBL12336015 0.87 MMP1 (1.00) FCER2MMP1ADAM17MMP2MMP3
Batimastat SCHEMBL4332 0.87 MMP1 (1.00) FCER2MMP1ADAM17MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2022107054-A1 INHIBITORS OF THE ADAM17 ENZYME AND COMPOSITIONS COMPRISING THEM FOR THE EFFECTIVE TREATMENT OF COVID-19 CENTRO DE INVESTIGACIÓN Y DE ESTUDIOS AVANZADOS DEL INSTITUTO POLITÉCNICO NACIONAL (MX) 2022-05-27 — — WO disclosed
US-20140073611-A1 METHODS FOR DRUG SCREEN USING ZEBRAFISH MODEL AND THE COMPOUNDS SCREENED THEREFROM NATIONAL TAIWAN UNIVERSITY (TW) 2014-03-13 — — US disclosed
WO-2011011181-A1 PHARMACOLOGICAL CHAPERONES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AMICUS THERAPEUTICS, INC. (US) 2011-01-27 — — WO disclosed
US-20100168089-A1 UTILIZATION OF TACE INHIBITORS FOR THE TREATMENT OF ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-07-01 — — 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 FCER2 1478/4885MMP1 67/4885ADAM17 22/4885
US-20100168089-A1 UTILIZATION OF TACE INHIBITORS FOR THE TREATMENT OF ACNE MMP17, MMP25, TIMP3 FCER2 3711/4885MMP1 16/4885ADAM17 11/4885
US-20140073611-A1 METHODS FOR DRUG SCREEN USING ZEBRAFISH MODEL AND THE COMPOUNDS SCREENED THEREFROM PLOD3, MYOC, SLTM FCER2 1054/4885MMP1 389/4885ADAM17 193/4885

“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.

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