SCHEMBL4652841

SCHEMBL4652841

O=C(O)c1ccc(-c2cccs2)cc1F

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.51
▸ ACLY P53396 2/20 0.50
▸ ERN1 O75460 2/20 0.49
▸ PTGER2 P43116 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ TNFRSF1A P19438 1/20 0.46
▸ FTO Q9C0B1 1/20 0.46
▸ GPR17 Q13304 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ DHODH Q02127 1/20 0.44
▸ HDAC3 O15379 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ RARB P10826 2/20 0.43
▸ RARA P10276 1/20 0.43
▸ RARG P13631 1/20 0.43

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
SCHEMBL22126665 0.82 HNF4A (0.59) PTPN1ACLYERN1KDM4EFTO
SCHEMBL3348427 0.82 NR4A2 (0.58) ACLYERN1KDM4ETNFRSF1AHDAC3
SCHEMBL6040493 0.81 ABL1 (0.40) PTPN1ACLYERN1PTGER2KDM4E
SCHEMBL21857924 0.81 KCNH2 (0.62) PTPN1ACLYKCNH2HDAC3HDAC1
SCHEMBL10024278 0.81 KDM4E (0.54) PTPN1ACLYERN1KDM4EFTO
SCHEMBL19328808 0.80 ERN1 (0.55) PTPN1ERN1PTGER2RXFP1KDM4E
SCHEMBL330966 0.79 PTPN1 (0.60) PTPN1ACLYERN1
SCHEMBL16256690 0.79 PTPN1 (0.56) PTPN1ACLYERN1PTGER2KDM4E
SCHEMBL764268 0.79 ABL1 (0.54) KDM4EKCNH2HDAC3HDAC1HDAC2
SCHEMBL30641680 0.78 RARB (0.60) RXFP1KDM4ERARBRARARARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071457-A Inhibitors of indoleamine 2, 3-dioxygenase 荷兰转化研究中心有限责任公司 2018-12-21 — — CN disclosed
EP-1608617-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2013-01-09 — — EP disclosed
US-7326731-B2 Muscarinic agonists ELI LILLY AND COMPANY (US) 2008-02-05 — — US disclosed
EP-1644320-B1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS LILLY CO ELI (US) 2008-01-16 — — EP disclosed
US-7265246-B2 Indane derivates as muscarinic receptor agonists ELI LILLY AND COMPANY (US) 2007-09-04 — — US disclosed
US-20070060587-A1 Indane derivates as muscarinic receptor agonists ELI LILLY AND COMPANY (US) 2007-03-15 — — 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-20070060587-A1 Indane derivates as muscarinic receptor agonists CHRM1, CHRM3, CHRM2 PTPN1 2088/4885ACLY 3936/4885ERN1 3741/4885

“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