SCHEMBL21925527

SCHEMBL21925527

NC(Cc1ccccc1)c1ncc(C(=O)O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.46
▸ MMP2 P08253 3/20 0.44
▸ ALPI P09923 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ XIAP P98170 1/20 0.44
▸ SLC7A5 Q01650 1/20 0.44
▸ MMP9 P14780 2/20 0.41
▸ MMP13 P45452 2/20 0.41
▸ SLC1A3 P43003 2/20 0.41
▸ SLC1A2 P43004 2/20 0.41
▸ SLC1A1 P43005 2/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ P4HTM Q9NXG6 1/20 0.40
▸ SSTR1 P30872 1/20 0.39
▸ SLC15A1 P46059 1/20 0.39
▸ DAO P14920 1/20 0.38
▸ LAP3 P28838 2/20 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
SCHEMBL20630476 1.00 PIN1 (0.46) PIN1MMP2ALPIPKMPTGS1
SCHEMBL20630812 0.85 MMP2 (0.64) MMP2ALPIPKMPTGS1XIAP
SCHEMBL29111521 0.79 ALPI (0.41) MMP2ALPIPKMPTGS1XIAP
SCHEMBL1196577 0.77 CYP1A2 (0.43) CYP1A2ROCK2SSTR1ANPEP
SCHEMBL16836933 0.76 SSTR1 (0.62) SSTR1
SCHEMBL9938772 0.75 MMP2 (0.71) PIN1MMP2MMP9MMP13MMP1
SCHEMBL20630477 0.75 ALPI (0.45) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL18241797 0.73 SSTR1 (0.47) SSTR1
Hydrochloric Acid SCHEMBL17008937 0.72 SSTR1 (0.47) SSTR1
Hydrochloric Acid SCHEMBL17008908 0.72 SSTR1 (0.47) SSTR1

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
CN-116813705-A Peptide compound, application thereof and composition containing peptide compound 凯惠科技发展(上海)有限公司 2023-09-29 — — CN disclosed
CN-109206481-B Peptide compound, application thereof and composition containing peptide compound 尚华医药科技(江西)有限公司 2023-08-18 — — CN disclosed
US-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2020-06-04 — — US disclosed
EP-3650464-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCExplorer (Shanghai) Co., Ltd. (CN) 2020-05-13 — — EP 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-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND KISS1R, VIP, NPY1R PIN1 3659/4885MMP2 3367/4885ALPI 2329/4885

“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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