SCHEMBL19486284

SCHEMBL19486284

CCCOc1ccc(C(=N)N)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.46
▸ PRSS1 P07477 8/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ PRSS3 P35030 1/20 0.46
▸ FURIN P09958 1/20 0.45
▸ NNMT P40261 1/20 0.44
▸ TMPRSS2 O15393 2/20 0.43
▸ PRMT1 Q99873 3/20 0.42
▸ F2 P00734 2/20 0.42
▸ ST14 Q9Y5Y6 2/20 0.42
▸ PLAU P00749 1/20 0.42
▸ PRMT5 O14744 1/20 0.42
▸ SLC22A2 O15244 1/20 0.42
▸ SLC22A1 O15245 1/20 0.42
▸ PTP4A3 O75365 1/20 0.42
▸ SLC22A3 O75751 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ PLG P00747 1/20 0.42
▸ S100B P04271 1/20 0.42
▸ CHRM2 P08172 1/20 0.42

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
SCHEMBL19486286 0.92 PRSS1 (0.50) PRSS1PRSS2PRSS3TMPRSS2PRMT1
SCHEMBL6949740 0.89 PRMT1 (0.50) PRSS1TMPRSS2PRMT1F2ST14
Hydrochloric Acid SCHEMBL6949761 0.88 PRSS1 (0.51) PRSS1TMPRSS2PRMT1F2ST14
Hydrochloric Acid SCHEMBL7083326 0.88 PRSS1 (0.51) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL22120216 0.86 PRMT1 (0.58) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL15149527 0.85 PRSS1 (0.46) PRSS1FURINTMPRSS2PRMT1F2
SCHEMBL12461767 0.83 PRSS1 (0.47) PRSS1FURINTMPRSS2PRMT1F2
SCHEMBL15142491 0.83 PRSS1 (0.49) PRSS1FURINTMPRSS2PRMT1F2
SCHEMBL19481639 0.83 NNMT (0.44) MAPTPRSS1PRSS2PRSS3FURIN
SCHEMBL25404032 0.81 FURIN (0.48) MAPTPRSS1PRSS2PRSS3FURIN

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-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS ARIXA PHARMACEUTICALS, INC. 2017-10-19 — — US disclosed
WO-2017180794-A1 DEUTERATED O-SULFATED BETA-LACTAM HYDROXAMIC ACIDS AND DEUTERATED N-SULFATED BETA-LACTAMS SKYLINE ANTIINFECTIVES, INC. (US) 2017-10-19 — — 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-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS DDOST, LBR, STS MAPT 4127/4885PRSS1 295/4885PRSS2 255/4885

“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.

Send feedback