SCHEMBL13024497

SCHEMBL13024497

O=C(/C=C/c1cccs1)Nc1scc(-c2ccccc2)c1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 15/20 1.00
▸ RAB9A P51151 8/20 1.00
▸ NPC1 O15118 6/20 1.00
▸ MAPT P10636 6/20 1.00
▸ SMN1; SMN2 Q16637 6/20 1.00
▸ ALDH1A1 P00352 4/20 1.00
▸ TDP1 Q9NUW8 3/20 1.00
▸ POLB P06746 3/20 1.00
▸ KDM4E B2RXH2 3/20 1.00
▸ PKM P14618 3/20 1.00
▸ UBE2I P63279 2/20 1.00
▸ SAE1 Q9UBE0 2/20 1.00
▸ UBA2 Q9UBT2 2/20 1.00
▸ BLM P54132 2/20 1.00
▸ HKDC1 Q2TB90 1/20 1.00
▸ MEN1 O00255 14/20 0.74
▸ LMNA P02545 3/20 0.74
▸ SLC12A2 P55011 1/20 0.74
▸ SLC12A5 Q9H2X9 1/20 0.74
▸ RECQL P46063 2/20 0.65

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
SCHEMBL15857952 0.89 RAB9A (0.80) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL12319232 0.85 KMT2A (1.00) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL12319226 0.78 KMT2A (0.84) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL12319223 0.78 KMT2A (0.84) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL12319233 0.76 KMT2A (0.62) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7950510 0.76 KMT2A (0.62) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7952321 0.75 KMT2A (0.65) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL18985299 0.75 RAB9A (0.74) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL18985301 0.75 RAB9A (0.74) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6311471 0.74 KMT2A (0.64) KMT2ARAB9ANPC1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9645151-B2 Targeting phosphofructokinase and its glycosylation form for cancer CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-05-09 — — US disclosed
US-9645151-B2 Targeting phosphofructokinase and its glycosylation form for cancer CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-05-09 — — US disclosed
US-20150369809-A1 TARGETING PHOSPHOFRUCTOKINASE AND ITS GLYCOSYLATION FORM FOR CANCER CALIFORNIA INSTITUTE OF TECHNOLOGY 2015-12-24 — — US disclosed
US-20150369809-A1 TARGETING PHOSPHOFRUCTOKINASE AND ITS GLYCOSYLATION FORM FOR CANCER CALIFORNIA INSTITUTE OF TECHNOLOGY 2015-12-24 — — US disclosed
US-8993718-B2 Methods and compositions for detecting and modulating O-glycosylation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-31 — — US disclosed
US-8993718-B2 Methods and compositions for detecting and modulating O-glycosylation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-31 — — US disclosed
US-20140187444-A1 METHODS AND COMPOSITIONS FOR DETECTING AND MODULATING O-GLYCOSYLATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-07-03 — — US disclosed
US-20140187444-A1 METHODS AND COMPOSITIONS FOR DETECTING AND MODULATING O-GLYCOSYLATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-07-03 — — US disclosed
US-8524444-B2 Methods and compositions for detections and modulating O-glycosylation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-09-03 — — US disclosed
US-8524444-B2 Methods and compositions for detections and modulating O-glycosylation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-09-03 — — US disclosed
US-20100290987-A1 METHODS AND COMPOSITIONS FOR DETECTING AND MODULATING O-GLYCOSYLATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2010-11-18 — — US disclosed
US-20100290987-A1 METHODS AND COMPOSITIONS FOR DETECTING AND MODULATING O-GLYCOSYLATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2010-11-18 — — 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 (2 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-20150369809-A1 TARGETING PHOSPHOFRUCTOKINASE AND ITS GLYCOSYLATION FORM FOR CANCER PFKFB1, PFKFB2, PGK1 KMT2A 2647/4885RAB9A 3912/4885NPC1 3164/4885
US-20100290987-A1 METHODS AND COMPOSITIONS FOR DETECTING AND MODULATING O-GLYCOSYLATION OGA, IAPP, IDE KMT2A 4695/4885RAB9A 2300/4885NPC1 1052/4885

“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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