SCHEMBL21348175

SCHEMBL21348175

CC(=O)N(C)CCN(C)C(=O)OCc1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.44
▸ TPSAB1 Q15661 1/20 0.44
▸ MMP2 P08253 2/20 0.43
▸ MMP12 P39900 2/20 0.43
▸ MAOB P27338 2/20 0.42
▸ MMP1 P03956 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ F13A1 P00488 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ TGM1 P22735 1/20 0.39
▸ P2RX4 Q99571 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NAAA Q02083 1/20 0.38
▸ AGXT P21549 2/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ GAA P10253 1/20 0.37

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
SCHEMBL24591903 0.86 MMP2 (0.47) PRSS1TPSAB1MMP2MMP12MAOB
SCHEMBL17067258 0.86 ALDH1A1 (0.56) F13A1TGM2TGM1ALDH1A1MAPT
SCHEMBL25962335 0.85 PRSS1 (0.42) PRSS1TPSAB1MMP2MMP12MAOB
SCHEMBL10224011 0.84 F13A1 (0.44) PRSS1TPSAB1NPC1F13A1TGM2
SCHEMBL25750941 0.84 ESRRG (0.49) PRSS1TPSAB1NPC1RAB9AALDH1A1
SCHEMBL21348178 0.84 MEN1 (0.47) PRSS1TPSAB1NPC1RAB9AF13A1
SCHEMBL24062673 0.82 PRSS1 (0.47) PRSS1TPSAB1MMP2MMP12MAOB
SCHEMBL11990731 0.80 F13A1 (0.42) PRSS1TPSAB1NPC1F13A1TGM2
SCHEMBL24062709 0.80 NPC1 (0.41) PRSS1TPSAB1NPC1RAB9AF13A1
SCHEMBL11131589 0.80 MMP2 (0.49) PRSS1TPSAB1MMP2MMP12MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023124537-A1 CONJUGATE AND ANTIBODY-DRUG CONJUGATE PREPARED USING SAME 辽宁键凯科技有限公司 2023-07-06 — — WO disclosed
US-11667945-B2 Detection method and detection probe for colibactin and colibactin-producing bacteria SHIZUOKA PREFECTURE PUBLIC UNIVERSITY CORPORATION (JP) 2023-06-06 — — US disclosed
US-11667945-B2 Detection method and detection probe for colibactin and colibactin-producing bacteria SHIZUOKA PREFECTURE PUBLIC UNIVERSITY CORPORATION (JP) 2023-06-06 — — US disclosed
WO-2023048639-A2 ACTIVATABLE MOLECULAR PROBES FOR IN VIVO VIRUS IMAGING AND DETECTION NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2023-03-30 — — WO disclosed
EP-4011396-A1 RELEASABLE CONJUGATES QuiaPEG Pharmaceuticals AB (SE) 2022-06-15 — — EP disclosed
US-20210010051-A1 DETECTION METHOD AND DETECTION PROBE FOR COLIBACTIN AND COLIBACTIN-PRODUCING BACTERIA SHIZUOKA PREFECTURE PUBLIC UNIVERSITY CORPORATION (JP) 2021-01-14 — — US disclosed
WO-2019171358-A1 RELEASABLE ANTIBODY CONJUGATES QUIAPEG PHARMACEUTICALS AB (SE) 2019-09-12 — — WO 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-20210010051-A1 DETECTION METHOD AND DETECTION PROBE FOR COLIBACTIN AND COLIBACTIN-PRODUCING BACTERIA CLTB, LNPEP, CMBL PRSS1 881/4885TPSAB1 1403/4885MMP2 2273/4885
US-11667945-B2 Detection method and detection probe for colibactin and colibactin-producing bacteria CLTB, LNPEP, CMBL PRSS1 881/4885TPSAB1 1403/4885MMP2 2273/4885

“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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