SCHEMBL21047313

SCHEMBL21047313

CCOC(=O)C(=O)CC(=O)c1ccc(F)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 4/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 3/20 0.39
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
PTPN1 P18031 1/20 0.37

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
SCHEMBL29775615 1.00 CES2 (0.44) CES2CES1SMN1; SMN2ALDH1A1POLB
SCHEMBL312535 0.84 CES2 (0.47) CES2CES1SMN1; SMN2ALDH1A1POLB
SCHEMBL16111871 0.81 ERCC5 (0.46) SMN1; SMN2ALDH1A1POLBNPSR1MAPT
SCHEMBL25415875 0.81 MAPT (0.47) CES2CES1SMN1; SMN2ALDH1A1POLB
SCHEMBL30271604 0.80 ERCC5 (0.61) CES2CES1SMN1; SMN2ALDH1A1POLB
SCHEMBL1739431 0.80 ERCC5 (0.61) CES2CES1SMN1; SMN2ALDH1A1POLB
SCHEMBL1958113 0.79 TSHR (0.57) CES2CES1ALDH1A1NPSR1MAPT
SCHEMBL18490176 0.77 KDM4E (0.46) SMN1; SMN2ALDH1A1POLBNPSR1MAPT
SCHEMBL11274655 0.77 CES2 (0.46) CES2CES1ALDH1A1NPSR1MAPT
SCHEMBL28123449 0.76 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1POLBNPSR1MAPT

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
EP-3798217-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-02-22 EP disclosed
CN-109563085-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN disclosed
CN-110563717-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN disclosed
US-11306078-B2 Piperidine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2022-04-19 US disclosed
EP-3490986-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-24 EP disclosed
EP-3798217-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-03-31 EP disclosed
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-10 US disclosed
US-10752620-B2 Piperdine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2020-08-25 US disclosed
CN-110563717-A piperidine CXCR7receptor modulators 爱杜西亚药品有限公司 2019-12-13 CN disclosed
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2019-06-06 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 (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-11306078-B2 Piperidine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 CES2 2619/4885CES1 1972/4885SMN1; SMN2 4303/4885
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 CES2 2619/4885CES1 1972/4885SMN1; SMN2 4303/4885
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 CES2 2785/4885CES1 2082/4885SMN1; SMN2 4095/4885
US-10752620-B2 Piperdine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 CES2 2785/4885CES1 2082/4885SMN1; SMN2 4095/4885

“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.