SCHEMBL1000119

SCHEMBL1000119

CCC(Br)(C(=O)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.33
CYP2D6 P10635 2/20 0.33
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
GABRR1 P24046 2/20 0.31
FFAR3 O14843 1/20 0.30
MME P08473 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL1732885 1.00 CYP1A2 (0.33) CYP1A2CYP2D6GRM2GRM3MEN1
SCHEMBL1733291 1.00 CYP1A2 (0.33) CYP1A2CYP2D6GRM2GRM3MEN1
SCHEMBL28392033 0.83 GRM2 (0.31) CYP1A2GRM2GRM3MEN1KMT2A
Ibrotamide SCHEMBL1641878 0.78 EPHX1 (0.31)
SCHEMBL2730980 0.73
SCHEMBL31430102 0.72 SLC22A6 (0.31) CYP1A2MEN1KMT2AALDH1A1THRB
SCHEMBL9952000 0.69 ALDH1A1 (0.33) CYP1A2CYP2D6MEN1KMT2AALDH1A1
SCHEMBL3922345 0.69 ALDH1A1 (0.33) CYP1A2CYP2D6MEN1KMT2AALDH1A1
SCHEMBL2303259 0.69 ALDH1A1 (0.33) CYP1A2CYP2D6MEN1KMT2AALDH1A1
SCHEMBL2233286 0.69 ALDH1A1 (0.33) CYP1A2CYP2D6MEN1KMT2AALDH1A1

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2399902-B1 PROCESS FOR PREPARING 2,3-DI-NON-STRAIGHT-ALKYL-2-CYANO SUCCINIC ACID DIESTERS CHINA PETROLEUM & CHEMICAL (CN) 2014-11-26 EP claimed
EP-2882738-B1 NEW ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-05-31 EP disclosed
EP-2882739-B1 NEW ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-05-03 EP disclosed
US-9315522-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2016-04-19 US disclosed
US-9296760-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2016-03-29 US disclosed
US-20150225424-A1 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2015-08-13 US disclosed
US-20150210719-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND US (IE) 2015-07-30 US disclosed
EP-2882739-A1 NEW ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland UC (IE) 2015-06-17 EP disclosed
EP-2882738-A1 NEW ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland UC (IE) 2015-06-17 EP disclosed
US-RE45183-E1 Heteroaryl-ureas and their use as glucokinase activators NOVO NORDISK A/S (DK) 2014-10-07 US disclosed
EP-0882024-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS Abbott Laboratories (US) 1998-12-09 EP disclosed
EP-0876353-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS Abbott Laboratories (US) 1998-11-11 EP disclosed
US-5693657-A USEFUL FOR TREATING HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1997-12-02 US disclosed
US-5646170-A ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1997-07-08 US disclosed
WO-1997021685-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1997-06-19 WO disclosed
WO-1997021683-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1997-06-19 WO disclosed
EP-0684945-A1 HETEROCYCLIC-SUBSTITUTED ALKYL AMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1995-12-06 EP disclosed
US-5441975-A Anticholesterol agent WARNER-LAMBERT COMPANY (US) 1995-08-15 US disclosed
US-5366987-A Enzyme inhibitors, anticholesterol WARNER-LAMBERT COMPANY (US) 1994-11-22 US disclosed
WO-1994019330-A1 HETEROCYCLIC-SUBSTITUTED ALKYL AMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-09-01 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 (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-20150210719-A1 ANTIBACTERIAL COMPOUNDS FAR1, GAA, ECI1 CYP1A2 427/4885CYP2D6 310/4885GRM2 4849/4885
US-20150225424-A1 Antibacterial compounds FAR1, GAA, ECI1 CYP1A2 427/4885CYP2D6 310/4885GRM2 4849/4885

“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.