SCHEMBL17543118

SCHEMBL17543118

COC1(c2ccc(Cl)cc2F)CCC2(CC1)CO2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.36
CTSD P07339 2/20 0.33
FLT1 P17948 2/20 0.33
KDR P35968 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
FGFR1 P11362 1/20 0.33
EPHB2 P29323 1/20 0.33
FLT4 P35916 1/20 0.33
PDE2A O00408 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE10A Q9Y233 2/20 0.31
EGFR P00533 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX5 P09917 1/20 0.31
MAP3K14 Q99558 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL17543119 1.00 BACE1 (0.36) BACE1CTSDFLT1KDRHDAC6
SCHEMBL17543307 0.84 ATM (0.36) BACE1SMN1; SMN2ALDH1A1ALOX5MAP3K14
SCHEMBL17543058 0.80 BACE1 (0.36) BACE1CTSDSMN1; SMN2ALDH1A1
SCHEMBL21048952 0.80 BACE1 (0.36) BACE1CTSDSMN1; SMN2ALDH1A1
SCHEMBL17543027 0.80 BACE1 (0.36) BACE1CTSDSMN1; SMN2ALDH1A1
SCHEMBL17543803 0.78 PSEN1 (0.41) ALDH1A1ALOX5
SCHEMBL17543748 0.78 POLB (0.31)
SCHEMBL17542851 0.78 MAP3K14 (0.35) MAP3K14
SCHEMBL17543857 0.75 BACE1 (0.36) BACE1HDAC6PDE2ASMN1; SMN2PDE10A
SCHEMBL17543855 0.75 BACE1 (0.36) BACE1HDAC6PDE2ASMN1; SMN2PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-11-05 US disclosed
EP-3186240-B1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2019-06-12 EP disclosed
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-11-01 US disclosed
US-10053446-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-08-21 US disclosed
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-09-07 US disclosed
EP-3186240-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS Otsuka Pharmaceutical Co., Ltd. (JP) 2017-07-05 EP disclosed
WO-2016031255-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-03-03 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 (4 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-10053446-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD BACE1 3258/4885CTSD 4258/4885FLT1 4884/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD BACE1 3258/4885CTSD 4258/4885FLT1 4884/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD BACE1 3258/4885CTSD 4258/4885FLT1 4884/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD BACE1 3258/4885CTSD 4258/4885FLT1 4884/4885

“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.