SCHEMBL21822264

SCHEMBL21822264

NCCC1CCN(C(=O)c2cc3ccc(/C(N)=N/O)cc3n2Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PRSS1 P07477 3/20 0.39
▸ PRSS2 P07478 2/20 0.39
▸ PRSS3 P35030 2/20 0.39
▸ ST14 Q9Y5Y6 2/20 0.39
▸ F10 P00742 2/20 0.39
▸ SLC9A1 P19634 1/20 0.39
▸ STAT3 P40763 2/20 0.38
▸ F2 P00734 2/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PPARG P37231 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ PTGS2 P35354 2/20 0.36
▸ PTGS1 P23219 1/20 0.36

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
SCHEMBL21822210 1.00 CCR2 (0.41) CCR2GAATDP1PRSS1PRSS2
SCHEMBL25015871 0.90 F10 (0.47) CCR2GAATDP1PRSS1PRSS2
SCHEMBL25017398 0.88 CCR2 (0.42) CCR2PRSS1PRSS2PRSS3ST14
SCHEMBL25015758 0.88 PTGS2 (0.44) CCR2PRSS1PRSS2PRSS3ST14
SCHEMBL21822209 0.86 CCR2 (0.41) CCR2GAATDP1PRSS1PRSS2
SCHEMBL28588249 0.86 CHRM4 (0.39) CCR2PRSS1F10STAT3F2
SCHEMBL25016836 0.85 ST14 (0.42) PRSS1PRSS2PRSS3ST14F10
SCHEMBL25015759 0.84 ST14 (0.39) PRSS1PRSS2PRSS3ST14F10
SCHEMBL25016822 0.83 F10 (0.47) CCR2GAATDP1PRSS1PRSS2
SCHEMBL28588246 0.82 GAA (0.39) CCR2GAATDP1PRSS1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 — — US disclosed
EP-3860636-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF Disc Medicine, Inc. (US) 2021-08-11 — — EP disclosed
WO-2020072580-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. (US) 2020-04-09 — — 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 (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-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 CCR2 2671/4885GAA 459/4885TDP1 958/4885

“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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