SCHEMBL22275832

SCHEMBL22275832

COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](C)NC(=O)[C@H](c1ccc(OC)cc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 8/20 0.43
▸ REN P00797 1/20 0.43
▸ HTRA1 Q92743 4/20 0.42
▸ TSHR P16473 1/20 0.40
▸ MMP3 P08254 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ KLK5 Q9Y337 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
SCHEMBL15723426 0.86 NPSR1 (0.41) ALDH1A1
SCHEMBL20556229 0.86 NPSR1 (0.41) ALDH1A1
SCHEMBL20556230 0.86 NPSR1 (0.41) ALDH1A1
SCHEMBL26508048 0.86 NPSR1 (0.41) ALDH1A1
SCHEMBL806769 0.85 TAS1R3 (0.50) MMP1MMP3ALDH1A1MMP9
SCHEMBL23447539 0.82 LCK (0.39) RENTSHRALDH1A1THRBCYP2C9
SCHEMBL23574378 0.82 SMN1; SMN2 (0.43) ALDH1A1
SCHEMBL16463916 0.82 KLK5 (0.53) MMP1RENTSHRMMP3ALDH1A1
SCHEMBL23574381 0.82 SMN1; SMN2 (0.43) ALDH1A1
SCHEMBL16463914 0.82 KLK5 (0.53) MMP1RENTSHRMMP3ALDH1A1

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-11072635-B2 Macrocyclic broad spectrum antibiotics RQX PHARMACEUTICALS, INC. (US) 2021-07-27 — — US disclosed
US-20200239519-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. 2020-07-30 — — 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-20200239519-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC MMP1 330/4885REN 861/4885HTRA1 200/4885
US-11072635-B2 Macrocyclic broad spectrum antibiotics MRPL21, PEPD, CTSC MMP1 330/4885REN 861/4885HTRA1 200/4885

“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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