SCHEMBL3134015

SCHEMBL3134015

COc1ccc(C[C@@H](CO)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.62
CTRB1 P17538 2/20 0.62
CTSL P07711 2/20 0.56
CTSS P25774 2/20 0.56
CTSK P43235 2/20 0.56
HDAC8 Q9BY41 1/20 0.54
CYP3A4 P08684 5/20 0.52
ALDH1A1 P00352 5/20 0.52
TSHR P16473 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
F2 P00734 1/20 0.52
MAPK1 P28482 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
ALOX15 P16050 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51

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
SCHEMBL11581174 1.00 ATM (0.62) ATMCTRB1CTSLCTSSCTSK
SCHEMBL11582096 0.91 PCNA (0.55) ATMCTRB1CTSLCTSSCTSK
SCHEMBL11582094 0.91 PCNA (0.55) ATMCTRB1CTSLCTSSCTSK
SCHEMBL14370507 0.90 ATM (0.62) ATMCTRB1CTSLCTSSCTSK
SCHEMBL2435512 0.89 CTRB1 (0.76) ATMCTRB1CTSLCTSSCTSK
SCHEMBL1051352 0.89 CTRB1 (0.76) ATMCTRB1CTSLCTSSCTSK
SCHEMBL2482903 0.89 CTRB1 (0.76) ATMCTRB1CTSLCTSSCTSK
SCHEMBL7301416 0.89 CTRB1 (0.64) CTRB1HDAC8CYP3A4CYP1A2CYP2D6
SCHEMBL9484576 0.89 CTRB1 (0.64) CTRB1HDAC8CYP3A4CYP1A2CYP2D6
SCHEMBL8612079 0.88 CTRB1 (0.60) CTRB1HDAC8CYP3A4ALDH1A1TSHR

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
EP-3515896-B1 CHIRAL CYCLEN COMPOUNDS AND THEIR USES UNIV HONG KONG POLYTECHNIC (CN) 2024-08-21 EP disclosed
US-11357873-B2 Chiral cyclen compounds and their uses THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2022-06-14 US disclosed
EP-1491537-B1 HYDROXYMORPHOLINONE DERIVATIVE AND MEDICINAL USE THEREOF SENJU PHARMA CO (JP) 2010-07-07 EP disclosed
US-7223755-B2 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-05-29 US disclosed
US-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 US disclosed
US-4097608-A Anti-ulcerous tyrosine derivatives DAIICHI SEIYAKU CO., LTD. (JA) 1978-06-27 US disclosed
US-4057629-A ANTIULCER DAIICHI SEIYAKU CO., LTD. (JA) 1977-11-08 US disclosed
US-4025644-A ANTIULCER DAIICHI SEIYAKU CO., LTD. (JA) 1977-05-24 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-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof CAPN1, OPRM1, CAPN2 ATM 4198/4885CTRB1 2167/4885CTSL 174/4885
US-11357873-B2 Chiral cyclen compounds and their uses DCTN3, DCTN1, CDK3 ATM 4079/4885CTRB1 1786/4885CTSL 3328/4885

“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.