SCHEMBL15948723

SCHEMBL15948723

CCCCCCCCCCCCCCCC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 4/20 0.40
▸ CTSG P08311 3/20 0.40
▸ CTRB1 P17538 3/20 0.40
▸ CMA1 P23946 3/20 0.40
▸ CNR2 P34972 1/20 0.36
▸ MLYCD O95822 1/20 0.36
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ S1PR4 O95977 4/20 0.35
▸ S1PR1 P21453 4/20 0.35
▸ S1PR5 Q9H228 4/20 0.35
▸ S1PR3 Q99500 3/20 0.35

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
SCHEMBL19027138 0.85 PRSS1 (0.37) PRSS1CTSGCTRB1CMA1CNR2
SCHEMBL19352340 0.85 PRSS1 (0.37) PRSS1CTSGCTRB1CMA1CNR2
SCHEMBL19536294 0.85 PRSS1 (0.37) PRSS1CTSGCTRB1CMA1CNR2
SCHEMBL15948716 0.85 PRSS1 (0.37) PRSS1CTSGCTRB1CMA1CNR2
SCHEMBL15948720 0.81 CYP1A2 (0.43) —
SCHEMBL3832552 0.81 MEN1 (0.33) —
SCHEMBL20514686 0.79 MMP1 (0.34) PRSS1CTSGCTRB1CMA1
SCHEMBL20514687 0.79 MMP1 (0.34) PRSS1CTSGCTRB1CMA1
SCHEMBL13568005 0.78 AAK1 (0.34) —
SCHEMBL15948786 0.78 CTSK (0.37) PRSS1CTSGCTRB1CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017189978-A1 ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2017-11-02 — — WO disclosed
WO-2017155923-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2017-09-14 — — WO disclosed
WO-2017106710-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2017-06-22 — — WO disclosed
US-20160220595-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO DEFENSE THREAT REDUCTION AGENCY, US DOD 2016-08-04 — — US disclosed
WO-2015038596-A1 NUCLEOTIDE AND NUCLEOSIDE COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2015-03-19 — — WO disclosed
WO-2014124430-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2014-08-14 — — 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-20160220595-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO PNP, NTPCR, TYMP PRSS1 3813/4885CTSG 1970/4885CTRB1 3322/4885

“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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