SCHEMBL21822422

SCHEMBL21822422

N=C(N)c1ccc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)n(CCS(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PPARG P37231 5/20 0.44
▸ TRPV4 Q9HBA0 7/20 0.43
▸ KCNK3 O14649 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ PIN1 Q13526 1/20 0.41
▸ F2 P00734 2/20 0.41
▸ PLG P00747 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ PLAT P00750 1/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ KLK1 P06870 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ TMPRSS6 Q8IU80 1/20 0.41

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
SCHEMBL25016097 0.92 F2 (0.42) ALDH1A1PPARGPOLBF2PLG
SCHEMBL28583311 0.90 PPARG (0.44) ALDH1A1CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL25017313 0.89 PLAU (0.43) ALDH1A1HPGDF2PLGPLAU
SCHEMBL28916291 0.87 PPARG (0.49) ALDH1A1CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL28579613 0.87 KMT2A (0.46) ALDH1A1CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL25017838 0.85 PLAU (0.44) ALDH1A1F2PLGPLAUPLAT
SCHEMBL25015686 0.85 PLAU (0.45) ALDH1A1F2PLGPLAUPLAT
SCHEMBL21822515 0.84 RXFP1 (0.45) ALDH1A1CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL25015689 0.80 F10 (0.49) PPARGF2
SCHEMBL25017840 0.80 NPC1 (0.46) ALDH1A1POLBTDP1LMNAF2

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 ALDH1A1 3877/4885CYP3A4 1926/4885CYP2C9 1200/4885

“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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