SCHEMBL8320979

SCHEMBL8320979

CC1(C)OC(=O)C(C(=O)Cc2ccccc2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
AKR1B1 P15121 1/20 0.41
FAAH O00519 1/20 0.41
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
PRTN3 P24158 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
SCHEMBL5800028 0.87 ALOX5 (0.52) FAAH
SCHEMBL21176880 0.86 HPGD (0.46) BACE1GLANPSR1SMN1; SMN2
SCHEMBL25353819 0.84 L3MBTL1 (0.40) BACE1LMNAGLANPSR1MEN1
SCHEMBL31048329 0.84 BACE1 (0.40) BACE1LMNAGLANPSR1SMN1; SMN2
SCHEMBL698104 0.84 BACE1 (0.43) BACE1TSHRLMNAGLANPSR1
SCHEMBL7436508 0.84 ALDH1A1 (0.46) BACE1KMT2AHDAC8HDAC6
SCHEMBL30706753 0.84 BACE1 (0.40) BACE1TSHRLMNAGLANPSR1
SCHEMBL30706874 0.84 CTBP2 (0.43) BACE1LMNAMEN1KMT2A
SCHEMBL31757922 0.81 PTGER1 (0.44) LMNAMEN1KMT2A
SCHEMBL8240783 0.81 CYP1A2 (0.43) TSHRLMNASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339976-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. 2023-10-26 US disclosed
EP-3151919-B1 CARBON MONOXIDE-RELEASING MOLECULES FOR THERAPEUTIC APPLICATIONS AND METHODS OF MAKING AND USING THEREOF UNIV GEORGIA STATE RES FOUND (US) 2023-08-30 EP disclosed
US-20210221835-A1 CARBON-MONOXIDE-RELEASING MOLECULES AND THERAPEUTIC APPLICATIONS THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-07-22 US disclosed
EP-3299369-B1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2020-11-11 EP disclosed
US-10751344-B2 Carbon monoxide-releasing molecules for therapeutic applications and methods for the preparation and use thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-08-25 US disclosed
US-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-07-14 US disclosed
US-20190350937-A1 CARBON MONOXIDE-RELEASING MOLECULES FOR THERAPEUTIC APPLICATIONS AND METHODS FOR THE PREPARATION AND USE THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2019-11-21 US disclosed
US-10300069-B2 Carbon monoxide-releasing molecules for therapeutic applications and methods of making and using thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2019-05-28 US disclosed
WO-2018093924-A1 CARBON MONOXIDE-RELEASING MOLECULES AND THERAPEUTIC APPLICATIONS THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-05-24 WO disclosed
WO-2016184434-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF 中国科学院上海药物研究所 2016-11-24 WO disclosed
WO-2015191616-A1 CARBON MONOXIDE-RELEASING MOLECULES FOR THERAPEUTIC APPLICATIONS AND METHODS OF MAKING AND USING THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2015-12-17 WO disclosed
US-5874589-A Methods for synthesizing diverse collections of tetramic acids and derivatives thereof GLAXO WELLCOME, INC. (US) 1999-02-23 US disclosed
EP-0539372-A1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1993-05-05 EP disclosed
WO-1991011448-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-08 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 (6 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-20210221835-A1 CARBON-MONOXIDE-RELEASING MOLECULES AND THERAPEUTIC APPLICATIONS THEREOF MB, HMOX1, CYC1 BACE1 3460/4885CES2 258/4885CES1 1079/4885
US-10751344-B2 Carbon monoxide-releasing molecules for therapeutic applications and methods for the preparation and use thereof MB, CYC1, HMOX1 BACE1 4018/4885CES2 225/4885CES1 915/4885
US-10300069-B2 Carbon monoxide-releasing molecules for therapeutic applications and methods of making and using thereof MB, CYC1, COX15 BACE1 3776/4885CES2 173/4885CES1 743/4885
US-20190350937-A1 CARBON MONOXIDE-RELEASING MOLECULES FOR THERAPEUTIC APPLICATIONS AND METHODS FOR THE PREPARATION AND USE THEREOF MB, CYC1, HMOX1 BACE1 4018/4885CES2 225/4885CES1 915/4885
US-20230339976-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS BACE1 1041/4885CES2 4854/4885CES1 2394/4885
US-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof MET, MERTK, DMPK BACE1 3163/4885CES2 3551/4885CES1 2382/4885

“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.