SCHEMBL1977053

SCHEMBL1977053

CCOC(=O)c1cc(C)sc1NC=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
LMNA P02545 4/20 0.54
MAPT P10636 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
KMT2A Q03164 2/20 0.54
ALOX12 P18054 2/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
GSTO1 P78417 1/20 0.46
HPGD P15428 3/20 0.46
GAA P10253 4/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL11578879 0.83 ALDH1A1 (0.53) ALDH1A1LMNAMAPTNPSR1KMT2A
SCHEMBL1972236 0.83 HSD17B10 (0.61) ALDH1A1LMNAMAPTNPSR1KMT2A
SCHEMBL10746533 0.81 ALDH1A1 (0.56) ALDH1A1LMNAMAPTNPSR1KMT2A
SCHEMBL16707018 0.80 ALDH1A1 (0.62) ALDH1A1LMNAMAPTNPSR1KMT2A
SCHEMBL5464054 0.79 ALDH1A1 (0.61) ALDH1A1LMNAMAPTNPSR1KMT2A
SCHEMBL20614850 0.78 ALDH1A1 (0.53) ALDH1A1LMNAMAPTNPSR1KMT2A
SCHEMBL17951303 0.77 NPSR1 (0.55) ALDH1A1LMNAMAPTNPSR1KMT2A
SCHEMBL18791450 0.76 CHEK1 (0.40) ALDH1A1LMNAMAPTNPSR1KMT2A
SCHEMBL5919129 0.76 ALDH1A1 (0.55) ALDH1A1LMNAMAPTNPSR1KMT2A
SCHEMBL6643211 0.76 ALDH1A1 (0.53) ALDH1A1LMNAMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015114663-A1 NOVEL THIENO [2,3-D]PYRIMIDIN-4(3H)-ONE COMPOUNDS WITH ANTIMYCOBACTERIAL PROPERTIES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-08-06 WO disclosed
EP-2346861-B1 THIOPHENE CONTAINING ANALOGUES OF FLUCONAZOLE AS ANTIFUNGAL AGENTS AND PROCESS THEREOF COUNCIL SCIENT IND RES (IN) 2013-01-23 EP disclosed
US-8236840-B2 Thiopene containing analogues of fluconazole as antifungal agents and process for their preparation COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-08-07 US disclosed
US-20110144171-A1 THIOPENE CONTAINING ANALOGUES OF FLUCONAZOLE AS ANTIFUNGAL AGENTS AND PROCESS FOR THEIR PREPARATION COUNCIL OF SCIENCE & INDUSTRIAL RESEARCH (IN) 2011-06-16 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-20110144171-A1 THIOPENE CONTAINING ANALOGUES OF FLUCONAZOLE AS ANTIFUNGAL AGENTS AND PROCESS FOR THEIR PREPARATION CYP51A1, ERG28, TPMT ALDH1A1 2097/4885LMNA 4704/4885MAPT 3756/4885

“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.