SCHEMBL17059404

SCHEMBL17059404

CC(=O)c1cccc(C(=O)O)c1CN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 2/20 0.47
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 2/20 0.43
MYC P01106 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
G6PD P11413 1/20 0.41
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
MMP2 P08253 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 2/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL1899412 0.92 SMN1; SMN2 (0.40) HMGB1ALDH1A1KDM4EHPGDTSHR
SCHEMBL27669069 0.90 HMGB1 (0.55) HMGB1ALDH1A1ALOX15MYCKDM4E
SCHEMBL17059422 0.85 HMGB1 (0.53) HMGB1ALDH1A1ALOX15MYCKDM4E
SCHEMBL9035814 0.82 ALDH1A1 (0.44) HMGB1ALDH1A1ALOX15MYCKDM4E
SCHEMBL5593056 0.82 CLCN2 (0.45) HMGB1ALDH1A1ALOX15KDM4EHPGD
SCHEMBL22620281 0.81 BRPF1 (0.42) ALDH1A1MYCKDM4EHPGDHSD17B10
SCHEMBL2227278 0.81 ALDH1A1 (0.55) HMGB1ALDH1A1ALOX15MYCKDM4E
SCHEMBL21937577 0.80 HMGB1 (0.44) HMGB1ALDH1A1ALOX15MYCKDM4E
SCHEMBL17058846 0.80 HMGB1 (0.47) HMGB1ALDH1A1ALOX15MYCKDM4E
SCHEMBL26418105 0.79 GABRP (0.38) ALDH1A1MYCKDM4ETSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077008-B1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS HAN JIE (CN) 2023-10-04 EP disclosed
US-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS BAIKANG (SUZHOU) CO., LTD (CN) 2015-09-03 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-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS NOS2, EGLN2, HPGD HMGB1 535/4885ALDH1A1 234/4885ALOX15 1831/4885

“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.