SCHEMBL19481639

SCHEMBL19481639

CC(C)(C)CCOc1ccc(C(=N)N)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 1/20 0.44
▸ FURIN P09958 1/20 0.42
▸ PRSS1 P07477 10/20 0.41
▸ TMPRSS2 O15393 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ OPRM1 P35372 2/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ PRMT1 Q99873 3/20 0.39
▸ F2 P00734 2/20 0.39
▸ ST14 Q9Y5Y6 2/20 0.39
▸ PLAU P00749 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ SLC22A2 O15244 1/20 0.39
▸ SLC22A1 O15245 1/20 0.39
▸ PTP4A3 O75365 1/20 0.39
▸ SLC22A3 O75751 1/20 0.39
▸ F10 P00742 1/20 0.39

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
SCHEMBL19486284 0.83 MAPT (0.46) NNMTFURINPRSS1TMPRSS2MAPT
SCHEMBL22120216 0.82 PRMT1 (0.58) PRSS1TMPRSS2OPRM1PRMT1F2
SCHEMBL19486286 0.81 PRSS1 (0.50) PRSS1TMPRSS2OPRM1PRMT1F2
SCHEMBL15149527 0.81 PRSS1 (0.46) FURINPRSS1TMPRSS2OPRM1OPRD1
SCHEMBL15142491 0.80 PRSS1 (0.49) FURINPRSS1TMPRSS2OPRM1OPRD1
SCHEMBL12461767 0.80 PRSS1 (0.47) FURINPRSS1TMPRSS2OPRM1PRMT1
SCHEMBL22837124 0.79 MAPT (0.46) NNMTMAPTKCNH2
SCHEMBL6949740 0.79 PRMT1 (0.50) PRSS1TMPRSS2OPRM1PRMT1F2
SCHEMBL1924984 0.79 NNMT (0.68) NNMTFURINPRSS1OPRM1OPRD1
Hydrochloric Acid SCHEMBL7083326 0.78 PRSS1 (0.51) PRSS1TMPRSS2OPRM1PRMT1F2

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
US-20180148439-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N-SULFATED BETA LACTAMS ARIXA PHARMACEUTICALS, INC. 2018-05-31 — — US disclosed
US-20180148439-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N-SULFATED BETA LACTAMS ARIXA PHARMACEUTICALS, INC. 2018-05-31 — — US disclosed
US-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS ARIXA PHARMACEUTICALS, INC. 2017-10-19 — — US disclosed
US-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS ARIXA PHARMACEUTICALS, INC. 2017-10-19 — — US 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-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS DDOST, LBR, STS NNMT 1936/4885FURIN 79/4885PRSS1 295/4885
US-20180148439-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N-SULFATED BETA LACTAMS DDOST, LBR, STS NNMT 1936/4885FURIN 79/4885PRSS1 295/4885

“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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