SCHEMBL17060436

SCHEMBL17060436

O=S(=O)(Nc1c2ccccc2nc2ccccc12)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.49
ATM Q13315 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
KDM4E B2RXH2 3/20 0.45
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GLA P06280 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA2 P00918 1/20 0.42
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
POLB P06746 3/20 0.42
KMT2A Q03164 3/20 0.42
RAD52 P43351 2/20 0.42
LMNA P02545 2/20 0.41

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
SCHEMBL14703301 0.81 CA2 (0.44) CA2
SCHEMBL3580153 0.76 DHODH (0.57) CYP2D6POLBLMNA
SCHEMBL27233531 0.75 SLC22A12 (0.48) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL216185 0.71 PTPN1 (0.62) KDM1AALDH1A1SMN1; SMN2CA2PTGS1
SCHEMBL2127567 0.70 KEAP1 (0.61) ATMKDM4EGAAALDH1A1HPGD
SCHEMBL6427215 0.70 CYSLTR2 (0.52) ALDH1A1GLAHPGDCA2MAPT
SCHEMBL10044529 0.70 RXFP1 (0.62) KDM4EGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL1976973 0.70 PTPN1 (0.60) KDM1AALDH1A1SMN1; SMN2CA2PTGS1
SCHEMBL28665290 0.70 PTPN1 (0.60) KDM1AALDH1A1SMN1; SMN2CA2PTGS1
SCHEMBL23630584 0.68 KDM1A (0.78) KDM1AATMKDM4EGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2915576-B1 EXTRACTING AGENT FOR SEPARATING LITHIUM ISOTOPES AND USE THEREOF SHANGHAI INST ORGANIC CHEMISTRY CAS (CN) 2019-07-03 EP disclosed
US-9926618-B2 Extracting agent for separating lithium isotopes and use thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-03-27 US disclosed
US-20150299822-A1 EXTRACTING AGENT FOR SEPARATING LITHIUM ISOTOPES AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-10-22 US disclosed
EP-2915576-A1 EXTRACTING AGENT FOR SEPARATING LITHIUM ISOTOPES AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2015-09-09 EP 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 (1 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-20150299822-A1 EXTRACTING AGENT FOR SEPARATING LITHIUM ISOTOPES AND USE THEREOF TCF7L2, LUC7L2, CDK7 KDM1A 1197/4885ATM 3436/4885CYP1A2 1924/4885

“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.