SCHEMBL17088410

SCHEMBL17088410

CCN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 3/20 0.71
▸ ITGAM P11215 3/20 0.71
▸ POLB P06746 4/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ STAT3 P40763 1/20 0.61
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ L3MBTL1 Q9Y468 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ GPR55 Q9Y2T6 1/20 0.56
▸ HPGD P15428 1/20 0.55
▸ ENPP2 Q13822 1/20 0.54
▸ PSMB8 P28062 1/20 0.54
▸ TNFRSF1A P19438 1/20 0.53
▸ PIK3CG P48736 1/20 0.53
▸ PTPN22 Q9Y2R2 2/20 0.53

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
SCHEMBL3133011 0.88 ITGB2 (0.60) ITGB2ITGAMPOLBRAB9AALDH1A1
SCHEMBL3133014 0.88 ITGB2 (0.60) ITGB2ITGAMPOLBRAB9AALDH1A1
SCHEMBL3131533 0.88 STAT3 (0.78) ITGB2ITGAMPOLBRAB9AALDH1A1
SCHEMBL3131544 0.88 STAT3 (0.78) ITGB2ITGAMPOLBRAB9AALDH1A1
SCHEMBL3133007 0.88 ITGB2 (0.60) ITGB2ITGAMPOLBRAB9AALDH1A1
SCHEMBL3131549 0.88 STAT3 (0.78) ITGB2ITGAMPOLBRAB9AALDH1A1
SCHEMBL5146767 0.87 STAT3 (0.80) ITGB2ITGAMPOLBRAB9AALDH1A1
SCHEMBL5146772 0.87 STAT3 (0.80) ITGB2ITGAMPOLBRAB9AALDH1A1
SCHEMBL3134585 0.85 MEN1 (0.63) ITGB2ITGAMPOLBRAB9AALDH1A1
SCHEMBL3134591 0.85 MEN1 (0.63) ITGB2ITGAMPOLBRAB9AALDH1A1

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-20160207908-A1 BROAD SPECTRUM ANTIVIRAL AND ANTIPARASITIC AGENTS NIH-DEITR 2016-07-21 — — US disclosed
US-20160207908-A1 BROAD SPECTRUM ANTIVIRAL AND ANTIPARASITIC AGENTS NIH-DEITR 2016-07-21 — — US disclosed
US-9139575-B2 Broad spectrum antiviral and antiparasitic agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-09-22 — — US disclosed
US-9139575-B2 Broad spectrum antiviral and antiparasitic agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-09-22 — — 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-20160207908-A1 BROAD SPECTRUM ANTIVIRAL AND ANTIPARASITIC AGENTS MAVS, EIF2AK2, ZC3HAV1 ITGB2 4322/4885ITGAM 3280/4885POLB 115/4885

“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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