SCHEMBL2305986

SCHEMBL2305986

C[C@@H]1CN(c2c(C(=O)O)ccc(F)c2F)C[C@@H](C)O1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
KDM4E B2RXH2 4/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.39
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
GAK O14976 1/20 0.36
NPC1 O15118 2/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 2/20 0.36
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
FKBP1A P62942 1/20 0.35

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
SCHEMBL5014273 1.00 TSHR (0.41) TSHRKDM4ELMNAHTTMAPT
SCHEMBL2306871 1.00 TSHR (0.41) TSHRKDM4ELMNAHTTMAPT
SCHEMBL2310386 0.86 TSHR (0.45) TSHRKDM4ELMNAHTTMAPT
SCHEMBL2211812 0.76 ALDH1A1 (0.46) TSHRKDM4ELMNAMAPTALDH1A1
SCHEMBL3751398 0.75 KDM4E (0.40) TSHRKDM4EHTTMAPTALDH1A1
SCHEMBL4706251 0.75 KDM4E (0.43) TSHRKDM4EHTTMAPTALDH1A1
SCHEMBL2357083 0.75 KDM4E (0.40) TSHRKDM4EHTTMAPTALDH1A1
SCHEMBL2306361 0.75 KDM4E (0.40) TSHRKDM4EHTTMAPTALDH1A1
SCHEMBL3073265 0.73 KDM4E (0.38) TSHRKDM4ELMNAHTTMAPT
SCHEMBL3069796 0.73 KDM4E (0.38) TSHRKDM4ELMNAHTTMAPT

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-2350077-B1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ENTASIS THERAPEUTICS LTD (GB) 2016-01-27 EP disclosed
US-20150368266-A1 CHEMICAL COMPOUNDS 542 ENTASIS THERAPEUTICS INC. 2015-12-24 US disclosed
US-9040528-B2 Chemical compounds 542 ASTRAZENECA AB (SE) 2015-05-26 US disclosed
US-20140128371-A1 CHEMICAL COMPOUNDS 542 ASTRAZENECA AB (SE) 2014-05-08 US disclosed
US-8658641-B2 Fused, spirocyclic heteroaromatic compounds for the treatment of bacterial infections ASTRAZENECA AB (SE) 2014-02-25 US disclosed
US-20110245224-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-10-06 US disclosed
EP-2350077-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS AstraZeneca AB (SE) 2011-08-03 EP disclosed
WO-2010043893-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-04-22 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 (3 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-20150368266-A1 CHEMICAL COMPOUNDS 542 MRPL21, CFTR, CYP3A43 TSHR 3790/4885KDM4E 4091/4885LMNA 3981/4885
US-20110245224-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS SDHB, SDHA, RORC TSHR 3708/4885KDM4E 4677/4885LMNA 2377/4885
US-20140128371-A1 CHEMICAL COMPOUNDS 542 MRPL21, CFTR, CYP3A43 TSHR 3790/4885KDM4E 4091/4885LMNA 3981/4885

“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.