SCHEMBL10206891

SCHEMBL10206891

CNC(CCCCB(O)O)CCCNCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ARG1 P05089 3/20 0.44
▸ ARG2 P78540 3/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PLA2G1B P04054 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ SIGMAR1 Q99720 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MARS1 P56192 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ S1PR2 O95136 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36

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
SCHEMBL10206897 0.86 SMN1; SMN2 (0.48) POLBSIGMAR1S1PR2S1PR1S1PR3
SCHEMBL10206900 0.85 ARG1 (0.48) ARG1ARG2ALOX15CYP1A2CYP2D6
SCHEMBL894960 0.74 ARG1 (0.45) ARG1ARG2ALOX15CYP1A2CYP2D6
SCHEMBL23583427 0.74 CYP1A2 (0.57) ALOX15CYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL896060 0.73 ARG1 (0.44) ARG1ARG2ALOX15CYP1A2CYP2D6
SCHEMBL11089154 0.72 CYP1A2 (0.66) ALOX15CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL14879650 0.72 ARG1 (0.45) ARG1ARG2ALOX15CYP1A2CYP2D6
SCHEMBL18768836 0.71 ALOX15 (0.51) ALOX15CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL894933 0.71 ARG1 (0.57) ARG1ARG2
Hydrochloric Acid SCHEMBL894980 0.70 ARG1 (0.56) ARG1ARG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161349-A1 ARGINASE INHIBITOR COMBINATION THERAPIES PRECISION PHARMACEUTICALS, INC. 2018-06-14 — — US disclosed
US-9994594-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2018-06-12 — — US disclosed
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2017-06-29 — — US disclosed
US-20160375044-A1 Compositions and Methods for Inhibiting Arginase Activity CALITHERA BIOSCIENCES, INC. 2016-12-29 — — US disclosed
US-9040703-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2015-05-26 — — US disclosed
US-20140371175-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2014-12-18 — — US disclosed
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2012-04-05 — — 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 (5 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-20160375044-A1 Compositions and Methods for Inhibiting Arginase Activity ARG1, ARG2, PRMT3 ARG1 1/4885ARG2 2/4885ALOX15 1304/4885
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 ARG1 1/4885ARG2 2/4885ALOX15 3731/4885
US-20180161349-A1 ARGINASE INHIBITOR COMBINATION THERAPIES ARG1, ARG2, PRMT3 ARG1 1/4885ARG2 2/4885ALOX15 851/4885
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 ARG1 1/4885ARG2 2/4885ALOX15 3731/4885
US-20140371175-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 ARG1 1/4885ARG2 2/4885ALOX15 3731/4885

“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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