SCHEMBL3852129

SCHEMBL3852129

CCC(C)OC(=O)C(=CNc1ccc(OC)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 2/20 0.45
DHODH Q02127 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
KLK7 P49862 3/20 0.42
PKM P14618 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL62489 0.90 NPC1 (0.46) ALDH1A1HPGDDHODHNPC1RAB9A
SCHEMBL5046716 0.87 DHODH (0.58) ALDH1A1HPGDHTTDHODHRAB9A
SCHEMBL395325 0.87 DHODH (0.46) ALDH1A1DHODHNPC1RAB9AKLK7
SCHEMBL7066341 0.87 KDM4E (0.44) ALDH1A1DHODHGAAMAPTKDM4E
SCHEMBL436620 0.86 DHODH (0.44) ALDH1A1DHODHNPC1RAB9AKMT2A
SCHEMBL846105 0.86 MAPT (0.45) ALDH1A1DHODHKLK7KMT2ACYP1A2
SCHEMBL3883132 0.86 DHODH (0.44) ALDH1A1HPGDHTTDHODHNPC1
SCHEMBL5295057 0.84 GAA (0.47) ALDH1A1DHODHNPC1RAB9AKMT2A
SCHEMBL7072731 0.84 S1PR1 (0.46) GAAKDM4E
SCHEMBL3785519 0.83 PLK1 (0.42) ALDH1A1HPGDHTTDHODHNPC1

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-2906216-B1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR AJAY (GB) 2020-06-24 EP disclosed
US-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-07-13 US disclosed
US-9643979-B2 Inhibitors of DNA gyrase for the treatment of bacterial infections VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-05-09 US disclosed
US-20150284408-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR, AJAY, DR. (GB) 2015-10-08 US disclosed
EP-1727515-B1 UV ABSORBING CHROMOPHORES COVALENTLY BONDED TO HYPERBRANCHED POLYMERS DSM IP ASSETS BV (NL) 2014-04-30 EP disclosed
EP-1687276-B1 NOVEL METHOD OF PREPARING 3-FLUORINATED QUINOLINES NOVEXEL (FR) 2009-10-14 EP disclosed
EP-1687276-A1 NOVEL METHOD OF PREPARING 3-FLUORINATED QUINOLINES NOVEXEL (FR) 2006-08-09 EP disclosed
WO-2005049575-A1 NOVEL METHOD OF PREPARING 3-FLUORINATED QUINOLINES NOVEXEL (FR) 2005-06-02 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-20150284408-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS TOP1, TOP2A, DNASE1 ALDH1A1 3693/4885HPGD 322/4885HTT 3938/4885
US-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS TOP1, TOP2A, DNASE1 ALDH1A1 3693/4885HPGD 322/4885HTT 3938/4885

“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.