SCHEMBL22986541

SCHEMBL22986541

Cc1cc([C@H]2CC[C@@H]([C@@H](C)C(=O)Nc3ccc(S)cc3)CC2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 7/20 0.51
▸ CYP2C9 P11712 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C8 P10632 1/20 0.48
▸ TDO2 P48775 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ PSEN1 P49768 8/20 0.41
▸ PSEN2 P49810 8/20 0.41
▸ APH1B Q8WW43 8/20 0.41
▸ NCSTN Q92542 8/20 0.41
▸ APH1A Q96BI3 8/20 0.41
▸ PSENEN Q9NZ42 8/20 0.41
▸ WNT3A P56704 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ CYP2D6 P10635 2/20 0.38
▸ SLC6A3 Q01959 1/20 0.37
▸ TAAR1 Q96RJ0 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
SCHEMBL20838627 0.89 IDO1 (0.64) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL22730014 0.86 IDO1 (0.62) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL22755320 0.86 IDO1 (0.62) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL22730015 0.86 IDO1 (0.62) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL22730011 0.79 IDO1 (0.58) IDO1BRAF
SCHEMBL29923884 0.79 IDO1 (0.58) IDO1BRAF
SCHEMBL29924183 0.79 IDO1 (0.58) IDO1BRAF
SCHEMBL21213954 0.79 IDO1 (0.58) IDO1BRAF
SCHEMBL17729982 0.79 IDO1 (0.58) IDO1BRAF
SCHEMBL21583825 0.77 IDO1 (0.52) IDO1CYP2C9CYP3A4CYP2C8TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20210046069-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE DERIVATIVES, PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF IDO1, IDO2, KYNU IDO1 1/4885CYP2C9 477/4885CYP3A4 1146/4885

“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.

Send feedback