SCHEMBL21214005

SCHEMBL21214005

C[C@@H](C(=O)O)C1CCC(c2ccnc3ccnn23)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.63
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
DPP4 P27487 3/20 0.39
DPP8 Q6V1X1 3/20 0.39
DPP9 Q86TI2 3/20 0.39
DGAT1 O75907 2/20 0.35
ALDH1A1 P00352 2/20 0.35
PDE2A O00408 3/20 0.33
PDE3A Q14432 1/20 0.33
PLAT P00750 1/20 0.32
CCNT1 O60563 2/20 0.31
CDK2 P24941 2/20 0.31
CDK9 P50750 2/20 0.31
CCNA1 P78396 2/20 0.31
PDE3B Q13370 1/20 0.31
CYP2C9 P11712 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
TDO2 P48775 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
SCHEMBL17730143 1.00 IDO1 (0.63) IDO1KDM4EHTTDPP4DPP8
SCHEMBL17729249 0.85 IDO1 (0.58) IDO1KDM4EHTTDPP4DPP8
SCHEMBL17730058 0.82 IDO1 (0.53) IDO1KDM4EHTTDPP4DPP8
SCHEMBL23728528 0.81 KDM4E (0.51) IDO1KDM4EHTTDPP4DPP8
SCHEMBL17747277 0.81 IDO1 (0.78) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL22986537 0.81 IDO1 (0.78) IDO1KDM4EHTTDPP4DPP8
SCHEMBL17729136 0.81 IDO1 (0.78) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL28164055 0.78 IDO1 (0.52) IDO1KDM4EHTTDPP4DPP8
SCHEMBL28164107 0.78 IDO1 (0.52) IDO1KDM4EHTTDPP4DPP8
SCHEMBL28164616 0.78 IDO1 (0.52) IDO1KDM4EHTTDPP4DPP8

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
CN-110092750-B Pentafluoro sulfanyl substituted amide compound, preparation method and application thereof in medicine 北京诺诚健华医药科技有限公司 2023-07-21 CN disclosed
US-11389445-B2 Pentafluorosulfanyl-substituted amide derivatives, preparation methods thereof and medical uses thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2022-07-19 US disclosed
US-20210046069-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE DERIVATIVES, PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-02-18 US disclosed
US-20210046069-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE DERIVATIVES, PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-02-18 US disclosed
EP-3747865-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2020-12-09 EP disclosed
EP-3747865-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2020-12-09 EP disclosed
CN-110092750-A Amides compound that Pentafluorosulfanyl replaces, preparation method and its in application pharmaceutically 北京诺诚健华医药科技有限公司 2019-08-06 CN disclosed
WO-2019144781-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF 北京诺诚健华医药科技有限公司 2019-08-01 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-20210046069-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE DERIVATIVES, PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF IDO1, IDO2, KYNU IDO1 1/4885KDM4E 225/4885HTT 2814/4885
US-11389445-B2 Pentafluorosulfanyl-substituted amide derivatives, preparation methods thereof and medical uses thereof IDO1, IDO2, KYNU IDO1 1/4885KDM4E 225/4885HTT 2814/4885

“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.