SCHEMBL13780771

SCHEMBL13780771

O=C(O)CCCN1C(=O)S/C(=C\c2c[nH]c3ccccc23)C1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.54
▸ MMP2 P08253 1/20 0.54
▸ MMP13 P45452 1/20 0.54
▸ MMP14 P50281 1/20 0.54
▸ MITF O75030 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ XBP1 P17861 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ GFER P55789 1/20 0.53
▸ FFAR1 O14842 2/20 0.51
▸ AKR1B1 P15121 1/20 0.50
▸ POLB P06746 2/20 0.47
▸ ALDH1A1 P00352 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
SCHEMBL24518535 0.96 FFAR1 (0.56) MMP1MMP2MMP13MMP14MITF
SCHEMBL29727858 0.96 FFAR1 (0.56) MMP1MMP2MMP13MMP14MITF
SCHEMBL12417242 0.90 FFAR1 (0.64) RAB9ANPC1LMNAHTTFFAR1
SCHEMBL13236136 0.86 FFAR1 (0.71) MMP2LMNAFFAR1POLBALDH1A1
SCHEMBL9920145 0.81 FFAR1 (0.53) RAB9ASMN1; SMN2LMNAHPGDHTT
SCHEMBL13446896 0.79 MMP1 (0.73) MMP1MMP2MMP13MMP14MITF
SCHEMBL1903792 0.78 MMP3 (0.55) MMP13HPGDAKR1B1POLBALDH1A1
SCHEMBL1903789 0.78 MMP3 (0.55) MMP13HPGDAKR1B1POLBALDH1A1
SCHEMBL1903795 0.78 MMP3 (0.55) MMP13HPGDAKR1B1POLBALDH1A1
SCHEMBL26794059 0.77 FFAR1 (0.59) MMP2LMNAFFAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090175805-A1 Neuraminidase Inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-07-09 — — 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-20090175805-A1 Neuraminidase Inhibitors and uses thereof ENGASE, NEU1, NEU2 MMP1 171/4885MMP2 104/4885MMP13 155/4885

“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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