Sugi Predict

Sugi Predict / Compounds / SCHEMBL1810044

SCHEMBL1810044

SCHEMBL1810044

CCCCCCNCc1ccc(C#Cc2ccc(CCCC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.60
▸ HRH3 Q9Y5N1 1/20 0.60
▸ S1PR1 P21453 10/20 0.58
▸ S1PR3 Q99500 10/20 0.58
▸ S1PR2 O95136 8/20 0.58
▸ S1PR4 O95977 5/20 0.58
▸ LMNA P02545 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ LPAR2 Q9HBW0 3/20 0.56
▸ S1PR5 Q9H228 1/20 0.56
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ SIGMAR1 Q99720 3/20 0.51
▸ CHRM2 P08172 1/20 0.49

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
SCHEMBL9784433 0.90 HRH4 (0.72) HRH4HRH3S1PR1S1PR3S1PR2
SCHEMBL12626714 0.88 SIGMAR1 (0.58) HRH4HRH3S1PR1S1PR3S1PR2
SCHEMBL19217017 0.87 S1PR1 (0.73) HRH4HRH3S1PR1S1PR3S1PR2
SCHEMBL1815649 0.84 FFAR1 (0.47) HRH4HRH3S1PR1S1PR3S1PR2
SCHEMBL1815688 0.84 SMN1; SMN2 (0.60) HRH4HRH3S1PR1S1PR3S1PR2
SCHEMBL13093971 0.83 HRH4 (0.66) HRH4HRH3S1PR1S1PR3S1PR2
SCHEMBL9329750 0.83 HSD17B10 (0.62) S1PR1S1PR3S1PR4LMNAS1PR5
SCHEMBL9327876 0.83 HSD17B10 (0.62) S1PR1S1PR3S1PR4LMNAS1PR5
SCHEMBL9328147 0.83 HSD17B10 (0.62) S1PR1S1PR3S1PR4LMNAS1PR5
SCHEMBL8771414 0.83 HSD17B10 (0.62) S1PR1S1PR3S1PR4LMNAS1PR5

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 9 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 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
CN-1997638-A 1, 1' - (1, 2-acetylenediyl) bis-benzene derivatives as PTP 1-B inhibitors APPLIED RESEARCH SYSTEMS (AN) 2007-07-11 — — CN disclosed
EP-1756081-A1 1,1'-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2007-02-28 — — EP disclosed
WO-2005097773-A1 1,1’-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-10-20 — — 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 (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 HRH4 4120/4885HRH3 4554/4885S1PR1 3302/4885

“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.