SCHEMBL3135706

SCHEMBL3135706

CCN1C(=O)/C(=C/c2ccc(-c3ccccc3)s2)SC1=S

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.55
▸ PTPN22 Q9Y2R2 2/20 0.53
▸ PTPN1 P18031 1/20 0.52
▸ MAPK1 P28482 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ GLA P06280 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ STAT3 P40763 1/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ TNNI3 P19429 2/20 0.47
▸ TNNT2 P45379 2/20 0.47
▸ TNNC1 P63316 2/20 0.47

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
SCHEMBL3135714 1.00 TNFRSF1A (0.57) TNFRSF1ATDP1PTPN22PTPN1MAPK1
SCHEMBL3135718 1.00 TNFRSF1A (0.57) TNFRSF1ATDP1PTPN22PTPN1MAPK1
SCHEMBL25165760 0.88 TNFRSF1A (0.62) TNFRSF1APTPN22MAPK1ALDH1A1POLB
SCHEMBL13056341 0.85 PTPN22 (0.70) PTPN22PTPN1POLBMEN1KMT2A
SCHEMBL7860609 0.83 TNFRSF1A (0.55) TNFRSF1AMAPK1ALDH1A1MEN1KMT2A
SCHEMBL3134588 0.82 TDP1 (0.55) TNFRSF1ATDP1PTPN22PTPN1MAPK1
SCHEMBL3134593 0.82 TDP1 (0.55) TNFRSF1ATDP1PTPN22PTPN1MAPK1
SCHEMBL3134581 0.82 TDP1 (0.55) TNFRSF1ATDP1PTPN22PTPN1MAPK1
SCHEMBL7862697 0.81 NLRP3 (0.64) PTPN1MAPK1ALDH1A1POLBMEN1
SCHEMBL3135408 0.80 KMT2A (0.58) PTPN1POLBMEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120219613-A1 Novel Antiviral Agents for Enveloped Viruses THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-30 — — US claimed
WO-2010044924-A1 NOVEL ANTIVIRAL AGENTS FOR ENVELOPED VIRUSES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-22 — — WO claimed
US-20120219613-A1 Novel Antiviral Agents for Enveloped Viruses THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-30 — — US disclosed
WO-2010044924-A1 NOVEL ANTIVIRAL AGENTS FOR ENVELOPED VIRUSES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-22 — — 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-20120219613-A1 Novel Antiviral Agents for Enveloped Viruses MAVS, LAMP1, HAVCR2 TNFRSF1A 2355/4885TDP1 1886/4885PTPN22 2425/4885

“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.

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