SCHEMBL17035645

SCHEMBL17035645

CCOC(=O)C(C)(C=O)CC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.53
PKM P14618 3/20 0.41
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
ABCB11 O95342 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL10817059 0.85 TSHR (0.42) MMP8PKMALDH1A1TSHRTHRB
SCHEMBL23295136 0.83 ATM (0.42) MMP8ALDH1A1CYP1A2TSHRLMNA
SCHEMBL9014056 0.82 MMP8 (0.41) MMP8PKMALDH1A1TSHRHSD17B10
SCHEMBL335263 0.82 MMP8 (0.42) MMP8PKMCYP4F2CYP4A11ALDH1A1
SCHEMBL2555317 0.80 PKM (0.46) MMP8PKMCYP4F2CYP4A11ALDH1A1
SCHEMBL7857447 0.76 MMP8 (0.59) MMP8PKMCYP4F2CYP4A11ALDH1A1
SCHEMBL4426319 0.76 MMP8 (0.76) MMP8PKMCYP4F2CYP4A11ALDH1A1
SCHEMBL9040519 0.76 PKM (0.48) MMP8PKMCYP4F2CYP4A11ALDH1A1
SCHEMBL12574780 0.75 MMP8 (0.58) MMP8PKMCYP4F2CYP4A11ALDH1A1
SCHEMBL234014 0.74 MMP8 (0.56) MMP8PKMCYP4F2CYP4A11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265059-A1 SOLID STATE FORMS OF 6-CARBOXY-2-(3, 5-DICHLOROPHENYL)-BENZOXAZOLE OF FORMULA-I AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF NURAY CHEMICALS PRIVATE LIMIT­ED (IN) 2023-08-24 US claimed
WO-2022009221-A1 SOLID STATE FORMS OF 6-CARBOXY-2-(3, 5-DICHLOROPHENYL)-BENZOXAZOLE OF FORMULA-I AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF NURAY CHEMICALS PRIVATE LIMITED (IN) 2022-01-13 WO claimed
US-9120755-B2 Polymorphic forms of ivabradine hydrochloride CADILA HEALTHCARE LIMITED (IN) 2015-09-01 US claimed
US-20230265059-A1 SOLID STATE FORMS OF 6-CARBOXY-2-(3, 5-DICHLOROPHENYL)-BENZOXAZOLE OF FORMULA-I AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF NURAY CHEMICALS PRIVATE LIMIT­ED (IN) 2023-08-24 US disclosed
WO-2022009221-A1 SOLID STATE FORMS OF 6-CARBOXY-2-(3, 5-DICHLOROPHENYL)-BENZOXAZOLE OF FORMULA-I AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF NURAY CHEMICALS PRIVATE LIMITED (IN) 2022-01-13 WO 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-20230265059-A1 SOLID STATE FORMS OF 6-CARBOXY-2-(3, 5-DICHLOROPHENYL)-BENZOXAZOLE OF FORMULA-I AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CYP2D6, CYP3A7, CYP2B6 MMP8 4434/4885PKM 641/4885CYP4F2 16/4885

“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.