SCHEMBL12973005

SCHEMBL12973005

CC(C)CCC(CO)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.57
SLC1A3 P43003 2/20 0.57
SLC1A2 P43004 2/20 0.57
CHRM1 P11229 1/20 0.44
AKR1A1 P14550 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MME P08473 1/20 0.40
BLM P54132 1/20 0.40
TSHR P16473 1/20 0.38
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL9115232 0.87 SLC1A3 (0.64) SLC1A1SLC1A3SLC1A2CHRM1AKR1A1
SCHEMBL9845978 0.83 SLC1A3 (0.55) SLC1A1SLC1A3SLC1A2CHRM1AKR1A1
SCHEMBL584092 0.80 CA2 (0.60) SLC1A1SLC1A3SLC1A2CHRM1AKR1A1
SCHEMBL25927371 0.80 SLC1A3 (0.42) SLC1A1SLC1A3SLC1A2TDP1MME
SCHEMBL15080401 0.80 SLC1A3 (0.42) SLC1A1SLC1A3SLC1A2TDP1MME
SCHEMBL18307368 0.80 CA2 (0.60) SLC1A1SLC1A3SLC1A2CHRM1AKR1A1
SCHEMBL25927366 0.80 SLC1A3 (0.42) SLC1A1SLC1A3SLC1A2TDP1MME
SCHEMBL5378219 0.78 SLC1A3 (0.61) SLC1A1SLC1A3SLC1A2CHRM1AKR1A1
SCHEMBL977889 0.78 SLC1A3 (0.61) SLC1A1SLC1A3SLC1A2CHRM1AKR1A1
SCHEMBL5710630 0.78 SLC1A2 (0.55) SLC1A1SLC1A3SLC1A2CHRM1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES BUSHELL SIMON (US) 2014-10-23 US disclosed
US-20130252883-A1 Macrocycles and Their Uses NOVARTIS AG (CH) 2013-09-26 US disclosed
US-20130252883-A1 Macrocycles and Their Uses NOVARTIS AG (CH) 2013-09-26 US disclosed
US-8476224-B2 Macrocycles and their uses NOVARTIS AG (US) 2013-07-02 US disclosed
US-8476224-B2 Macrocycles and their uses NOVARTIS AG (US) 2013-07-02 US disclosed
US-7851439-B2 EFTU inhibitors or aminothiazoles and their uses NOVARTIS AG (CH) 2010-12-14 US disclosed
US-20100267757-A1 AMINOTHIAZOLES AND THEIR USES NOVARTIS AG (CH) 2010-10-21 US disclosed
US-20090186830-A1 MACROCYCLES AND THEIR USES NOVARTIS AG (CH) 2009-07-23 US disclosed
US-20090186830-A1 MACROCYCLES AND THEIR USES NOVARTIS AG (CH) 2009-07-23 US disclosed
US-20080221142-A1 useful in interfering with the life cycle of bacteria and in treating or preventing a bacterial infection NOVARTIS AG (CH) 2008-09-11 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-20130252883-A1 Macrocycles and Their Uses MRPL21, CLPP, MLEC SLC1A1 4746/4885SLC1A3 4688/4885SLC1A2 4640/4885
US-20100267757-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, GOT2 SLC1A1 191/4885SLC1A3 219/4885SLC1A2 173/4885
US-20080221142-A1 useful in interfering with the life cycle of bacteria and in treating or preventing a bacterial infection LPO, PCNA, BPGM SLC1A1 4118/4885SLC1A3 4060/4885SLC1A2 4310/4885
US-20090186830-A1 MACROCYCLES AND THEIR USES CYP11B2, OAT, CYP27A1 SLC1A1 2761/4885SLC1A3 2396/4885SLC1A2 2373/4885
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, GOT2 SLC1A1 191/4885SLC1A3 219/4885SLC1A2 173/4885

“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.