SCHEMBL24723256

SCHEMBL24723256

CCCC[C@H](NC)C(=O)N[C@H](CCCC)C(=O)NC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.40
MMP1 P03956 9/20 0.40
MMP3 P08254 9/20 0.40
BMP1 P13497 2/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MMP9 P14780 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
MMP7 P09237 3/20 0.38

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
SCHEMBL13351183 0.92 CA2 (0.44) MMP2MMP1MMP3CA1CA2
SCHEMBL20414883 0.92 CA2 (0.44) MMP2MMP1MMP3CA1CA2
SCHEMBL17377402 0.86 MMP3 (0.44) MMP2MMP1MMP3MMP9MMP7
SCHEMBL13494792 0.85 MMP3 (0.47) MMP2MMP1MMP3MMP9MMP7
SCHEMBL13494786 0.85 MMP3 (0.47) MMP2MMP1MMP3MMP9MMP7
SCHEMBL26188181 0.84 SIRT6 (0.44) MMP2MMP1MMP3CTSSCTSK
SCHEMBL19546728 0.83 SIRT6 (0.53) MMP2MMP1MMP3CTSSCTSK
SCHEMBL26857870 0.80 MMP3 (0.45) MMP1MMP3CTSSCTSKMMP9
SCHEMBL13227770 0.80 HDAC7 (0.43) MMP2MMP1MMP3BMP1CTSS
SCHEMBL25719293 0.80 HDAC7 (0.43) MMP2MMP1MMP3BMP1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030888-B2 Himastatin derivatives, and processes of preparation thereof, and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-07-09 US disclosed
US-20220289750-A1 HIMASTATIN DERIVATIVES, AND PROCESSES OF PREPARATION THEREOF, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2022-09-15 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 (2 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-12030888-B2 Himastatin derivatives, and processes of preparation thereof, and uses thereof PCSK9, HMGCR, PCSK7 MMP2 944/4885MMP1 3300/4885MMP3 2462/4885
US-20220289750-A1 HIMASTATIN DERIVATIVES, AND PROCESSES OF PREPARATION THEREOF, AND USES THEREOF PCSK9, HMGCR, PCSK7 MMP2 944/4885MMP1 3300/4885MMP3 2462/4885

“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.