SCHEMBL13292776

SCHEMBL13292776

Nc1ccc(C(=O)Oc2ccc(Sc3ccc(OC(=O)c4ccc(N)cc4)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 6/20 0.59
▸ F2 P00734 3/20 0.59
▸ PRSS2 P07478 3/20 0.59
▸ PRSS3 P35030 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ PKM P14618 2/20 0.59
▸ CYP3A4 P08684 3/20 0.50
▸ PARP10 Q53GL7 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ NR1H4 Q96RI1 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.47
▸ HGFAC Q04756 2/20 0.45
▸ LMNA P02545 4/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL346698 0.89 PRSS1 (0.71) PRSS1F2PRSS2PRSS3KMT2A
SCHEMBL347429 0.89 PRSS1 (0.71) PRSS1F2PRSS2PRSS3KMT2A
SCHEMBL107649 0.89 PRSS1 (0.71) PRSS1F2PRSS2PRSS3KMT2A
SCHEMBL13292767 0.84 KMT2A (0.43) PRSS1F2PRSS2PRSS3KMT2A
SCHEMBL28283207 0.83 PRSS1 (0.65) PRSS1F2PRSS2PRSS3KMT2A
SCHEMBL10021501 0.83 PRSS1 (0.65) PRSS1F2PRSS2PRSS3KMT2A
SCHEMBL3143505 0.83 PRSS1 (0.65) PRSS1F2PRSS2PRSS3KMT2A
SCHEMBL22310501 0.83 PRSS1 (0.65) PRSS1F2PRSS2PRSS3KMT2A
SCHEMBL8585571 0.81 PRSS1 (0.63) PRSS1F2PRSS2PRSS3KMT2A
SCHEMBL10528674 0.81 KMT2A (0.64) PRSS1F2KMT2APKMPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203895-A1 CURING AGENTS FOR EPOXY RESINS DESIGNER MOLECULES, INC. (US) 2013-08-08 — — US disclosed
US-20130203895-A1 CURING AGENTS FOR EPOXY RESINS DESIGNER MOLECULES, INC. (US) 2013-08-08 — — US disclosed
US-20130012620-A1 CURING AGENTS FOR EPOXY RESINS DESIGNER MOLECULES, INC. (US) 2013-01-10 — — US disclosed
US-20130012620-A1 CURING AGENTS FOR EPOXY RESINS DESIGNER MOLECULES, INC. (US) 2013-01-10 — — US disclosed
US-8288591-B2 Curing agents for epoxy resins DESIGNER MOLECULES, INC. (US) 2012-10-16 — — US disclosed
US-8288591-B2 Curing agents for epoxy resins DESIGNER MOLECULES, INC. (US) 2012-10-16 — — US disclosed
US-20100144977-A1 CURING AGENTS FOR EPOXY RESINS DESIGNER MOLECULES, INC. (US) 2010-06-10 — — US disclosed
US-20100144977-A1 CURING AGENTS FOR EPOXY RESINS DESIGNER MOLECULES, INC. (US) 2010-06-10 — — 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-20130012620-A1 CURING AGENTS FOR EPOXY RESINS DOT1L, EHMT1, ASH1L PRSS1 3472/4885F2 1820/4885PRSS2 3109/4885
US-20100144977-A1 CURING AGENTS FOR EPOXY RESINS PTGER3, PTGER4, ELL PRSS1 3579/4885F2 727/4885PRSS2 3341/4885

“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