Sugi Predict

Sugi Predict / Compounds / SCHEMBL1815479

SCHEMBL1815479

SCHEMBL1815479

CCCCc1ccc(C#Cc2ccc(C(=O)Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 6/20 0.53
▸ PLK1 P53350 1/20 0.53
▸ THRA P10827 4/20 0.51
▸ THRB P10828 4/20 0.51
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ FFAR1 O14842 2/20 0.47
▸ MMP2 P08253 2/20 0.47
▸ MMP9 P14780 2/20 0.47
▸ MMP8 P22894 2/20 0.47
▸ MMP13 P45452 2/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ RARA P10276 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL1020423 0.90 RARB (0.62) RARBPLK1THRATHRBALDH1A1
SCHEMBL8103655 0.86 RARB (0.59) RARBPLK1THRATHRBALDH1A1
SCHEMBL9418034 0.85 HSD17B10 (0.56) RARBPLK1THRATHRBALDH1A1
SCHEMBL1811178 0.85 RARB (0.73) RARBPLK1THRATHRBALDH1A1
SCHEMBL12656104 0.85 RARB (0.72) RARBPLK1THRATHRBALDH1A1
SCHEMBL158152 0.84 THRA (0.67) RARBTHRATHRBALDH1A1MEN1
SCHEMBL2402922 0.84 RARB (0.71) RARBPLK1THRATHRBALDH1A1
SCHEMBL2180222 0.83 THRA (0.70) RARBTHRATHRBALDH1A1MEN1
SCHEMBL1020543 0.83 THRA (0.70) RARBTHRATHRBALDH1A1MEN1
SCHEMBL8728345 0.83 THRA (0.70) RARBTHRATHRBALDH1A1MEN1

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
CN-1997638-B 1,1' - (1, 2-acetylenediyl) bis-benzene derivatives as PTP1-B inhibitors APPLIED RESEARCH SYSTEMS 2011-07-06 — — CN 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
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 RARB 2507/4885PLK1 1688/4885THRA 1386/4885

“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.