SCHEMBL3094482

SCHEMBL3094482

NCC[CH]C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.57
LMNA P02545 2/20 0.54
ALDH1A1 P00352 5/20 0.50
AKR1B10 O60218 2/20 0.50
AKR1B1 P15121 2/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
TTR P02766 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
SCHEMBL14675315 0.89 HCAR2 (0.53) HCAR2LMNAALDH1A1AKR1B10AKR1B1
SCHEMBL9001891 0.86 HCAR2 (0.61) HCAR2LMNAALDH1A1AKR1B10AKR1B1
SCHEMBL6708209 0.83 HCAR2 (0.57) HCAR2LMNAALDH1A1AKR1B10AKR1B1
SCHEMBL4065633 0.80 HCAR2 (0.62) HCAR2LMNAALDH1A1AKR1B10AKR1B1
SCHEMBL6966475 0.80 HCAR2 (0.54) HCAR2LMNAALDH1A1AKR1B10AKR1B1
SCHEMBL7079046 0.80 HCAR2 (0.54) HCAR2LMNAALDH1A1AKR1B10AKR1B1
SCHEMBL9744614 0.79 HCAR2 (0.47) HCAR2LMNAALDH1A1AKR1B10AKR1B1
SCHEMBL6971651 0.79 HCAR2 (0.53) HCAR2LMNAALDH1A1AKR1B10AKR1B1
SCHEMBL6133091 0.79 HCAR2 (0.61) HCAR2LMNAALDH1A1AKR1B10AKR1B1
SCHEMBL9650418 0.79 HCAR2 (0.61) HCAR2LMNAALDH1A1AKR1B10AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023183781-A2 LEGIONAMINIC ACID GLYCOSYLTRANSFERASES FOR CHEMOENZYMATIC SYNTHESIS OF GLYCANS AND GLYCOCONJUGATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-09-28 WO disclosed
US-9310366-B2 Anthrax carbohydrates, synthesis and uses thereof UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2016-04-12 US disclosed
US-20130260402-A1 ANTHRAX CARBOHYDRATES, SYNTHESIS AND USES THEREOF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES, CENTERS FOR DISEASE CONTROL AND PREVENTION (WASHINGTON D.C.) 2013-10-03 US disclosed
US-8420607-B2 Anthrax carbohydrates, synthesis and uses thereof UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-04-16 US disclosed
US-20100233174-A9 Anthrax carbohydrates, synthesis and uses thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES, CENTERS FOR DISEASE CONTROL AND PREVENTION (WASHINGTON D.C.) 2010-09-16 US disclosed
US-20090246200-A1 Anthrax carbohydrates, synthesis and uses thereof CARLSON RUSSELL W 2009-10-01 US disclosed
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP 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-20100233174-A9 Anthrax carbohydrates, synthesis and uses thereof ANTXR2, MGAM, CA14 HCAR2 683/4885LMNA 2601/4885ALDH1A1 2690/4885
US-20090246200-A1 Anthrax carbohydrates, synthesis and uses thereof ANTXR2, MGAM, CA14 HCAR2 683/4885LMNA 2601/4885ALDH1A1 2690/4885

“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.