SCHEMBL5497587

SCHEMBL5497587

NC(=O)c1ccc(NC(=O)CCC(=O)O)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.57
POLB P06746 2/20 0.54
CYP1A2 P05177 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
BCHE P06276 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CASP3 P42574 1/20 0.47
CASP2 P42575 1/20 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
SCHEMBL5496472 0.90 ALDH1A1 (0.51) CYP1A1POLBCYP1A2KMT2AALDH1A1
SCHEMBL3633228 0.82 SMN1; SMN2 (0.64) CYP1A1POLBCYP1A2CA12CA1
SCHEMBL13593266 0.82 KMT2A (0.61) CYP1A1POLBCYP1A2CA12CA1
SCHEMBL19382597 0.81 ALDH1A1 (0.51) CYP1A2KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL6009641 0.79 SIRT2 (0.61) CA12CA1CA2CA9CA14
SCHEMBL12325721 0.78 KDM4C (0.64) CYP1A1POLBCYP1A2CA12CA1
SCHEMBL12217983 0.76 CYP1A1 (0.66) CYP1A1POLBCYP1A2CA12CA1
Sulfuric Acid SCHEMBL3629891 0.75 GAA (0.58) CYP1A1POLBCYP1A2CA12CA1
SCHEMBL108096 0.75 ERCC1 (0.62) CYP1A1POLBCYP1A2KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7323758 0.74 POLB (0.51) CYP1A1POLBCYP1A2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149530-B2 Compositions and methods for enhancing active agent absorption NEXUS PHARMA, INC. (US) 2015-10-06 US disclosed
US-8426466-B2 Compositions and methods for enhancing active agent absorption NEXUS PHARMA, INC. (US) 2013-04-23 US disclosed
US-20070269500-A1 Compositions and methods for enhancing active agent absorption NEXUS PHARMA, INC. 2007-11-22 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-20070269500-A1 Compositions and methods for enhancing active agent absorption FABP2, SLC10A2, SI CYP1A1 1282/4885POLB 1248/4885CYP1A2 775/4885

“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.