SCHEMBL894577

SCHEMBL894577

O=C(O)[C@H]1CC[C@@H](C2(c3ccc(Cl)cc3)OCCO2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
HSD11B1 P28845 2/20 0.40
NOTUM Q6P988 2/20 0.39
AKR1C3 P42330 1/20 0.39
PTGS2 P35354 1/20 0.38
CHRM2 P08172 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NR1I2 O75469 1/20 0.35
RORC P51449 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
VCP P55072 1/20 0.34

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
SCHEMBL894578 1.00 MAPT (0.42) MAPTHSD11B1NOTUMAKR1C3PTGS2
SCHEMBL10207447 0.79 PKM (0.37) CHRM2
SCHEMBL16309692 0.79 PKM (0.37) CHRM2
SCHEMBL10207455 0.79 CHRM2 (0.33) HSD11B1CHRM2ALDH1A1KMT2A
SCHEMBL4733567 0.75 DRD2 (0.42)
SCHEMBL4733564 0.75 MAOA (0.33) MAPTCHRM2ALDH1A1
SCHEMBL11776169 0.73 LMNA (0.42) MAPTCHRM2MEN1KMT2A
SCHEMBL20485690 0.69 ALDH1A1 (0.31) CHRM2ALDH1A1
SCHEMBL894800 0.67 MGLL (0.60) MAPTHSD11B1MEN1KMT2A
SCHEMBL894802 0.67 MGLL (0.60) MAPTHSD11B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560978-B1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS INC (US) 2019-01-30 EP disclosed
US-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2018-09-06 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-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
EP-2560978-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS Mars, Incorporated (US) 2013-02-27 EP disclosed
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2012-04-05 US disclosed
WO-2011133653-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED (US) 2011-10-27 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 (4 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-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 MAPT 4496/4885HSD11B1 1901/4885NOTUM 2722/4885
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 MAPT 4496/4885HSD11B1 1901/4885NOTUM 2722/4885
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 MAPT 4496/4885HSD11B1 1901/4885NOTUM 2722/4885
US-20140371175-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 MAPT 4496/4885HSD11B1 1901/4885NOTUM 2722/4885

“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.