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Sugi Predict / Compounds / SCHEMBL1811686

SCHEMBL1811686

SCHEMBL1811686

CCCCc1ccc(C#Cc2ccc(CN(Cc3ccc(OCC(=O)O)cc3)C(=O)Nc3ccc(C(C)(C)C)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NR1H4 Q96RI1 3/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ PPARG P37231 1/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 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
SCHEMBL12626711 0.92 MEN1 (0.42) SMN1; SMN2NR1H4PPARGPPARDPPARA
SCHEMBL1812730 0.89 PSMB5 (0.50) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL1811957 0.86 EPHX2 (0.43) SMN1; SMN2NR1H4EPHX2PPARGPPARD
SCHEMBL5504096 0.86 ESRRG (0.46) NR1H4RAB9APOLBHDAC3HDAC4
SCHEMBL1816630 0.81 PTGES (0.55) PPARGPPARAFFAR1ALDH1A1
SCHEMBL12626731 0.80 PSMB5 (0.49) SMN1; SMN2MEN1KMT2ARAB9APOLB
SCHEMBL1734728 0.77 LTB4R2 (0.53) PPARGPPARANPC1FFAR1
SCHEMBL1811287 0.77 PTGES (0.51) EPHX2CYP2C19HPGDALDH1A1
SCHEMBL5501954 0.76 PSMB5 (0.44) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL1813323 0.76 ACACB (0.42) EPHX2CYP2C19HPGDFFAR1

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
US-7947851-B2 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors MERCK SERONO SA (CH) 2011-05-24 — — US claimed
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors MERCK SERONO SA (CH) 2009-01-29 — — US claimed
US-7947851-B2 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors MERCK SERONO SA (CH) 2011-05-24 — — US disclosed
US-7947851-B2 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors MERCK SERONO SA (CH) 2011-05-24 — — US disclosed
US-7947851-B2 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors MERCK SERONO SA (CH) 2011-05-24 — — US disclosed
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors MERCK SERONO SA (CH) 2009-01-29 — — US disclosed
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors MERCK SERONO SA (CH) 2009-01-29 — — US disclosed
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors MERCK SERONO SA (CH) 2009-01-29 — — 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-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors PTPRS, PTPRZ1, PTP4A1 SMN1; SMN2 4884/4885NR1H4 667/4885EPHX2 1500/4885

“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.