SCHEMBL4997470

SCHEMBL4997470

COc1c(C(=O)O)sc2c(F)cccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.42
PTPN2 P17706 1/20 0.42
EDNRA P25101 1/20 0.41
MIF P14174 1/20 0.40
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 0.38
TUBB6 Q9BUF5 2/20 0.38
TUBB2B Q9BVA1 2/20 0.38
TUBB1 Q9H4B7 2/20 0.38
DYRK3 O43781 1/20 0.36

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
SCHEMBL21874507 0.82 EDNRA (0.44) PTPN1PTPN2EDNRATUBB4ATUBB
SCHEMBL2889379 0.80 GPR35 (0.44) PTPN1PTPN2EDNRA
SCHEMBL17842707 0.76 MCL1 (0.56) PTPN1PTPN2MIFSTING1
SCHEMBL31370867 0.76 GPR35 (0.39) PTPN1PTPN2MIFSTING1
SCHEMBL1098130 0.74 MCL1 (0.57) PTPN1PTPN2EDNRAALDH1A1KMT2A
SCHEMBL23532121 0.73 MEN1 (0.50) ALDH1A1KMT2ARAB9A
SCHEMBL1851584 0.73 CA12 (0.46) EDNRADYRK1ASTING1ALDH1A1TSHR
SCHEMBL31159084 0.72 KDM4E (0.60) ALDH1A1TSHRKMT2ARAB9A
SCHEMBL5040310 0.71 EDNRA (0.45) PTPN1PTPN2EDNRAALDH1A1TSHR
SCHEMBL21874466 0.71 PTPN1 (0.40) PTPN1PTPN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410996-B2 3-aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060173035-A1 3-Aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2006-08-03 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-20060173035-A1 3-Aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ADRB3, SLC6A3, SLC6A2 PTPN1 1989/4885PTPN2 2021/4885EDNRA 1288/4885

“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.