SCHEMBL3033242

SCHEMBL3033242

CC(C)(C)c1ccc(O)c(-c2ccc(C=O)o2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
HAO1 Q9UJM8 1/20 0.46
ALDH1A1 P00352 9/20 0.43
HPGD P15428 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 6/20 0.42
POLB P06746 4/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PIK3CA P42336 6/20 0.40
PIK3CG P48736 6/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL6010140 0.77 PIK3CA (0.57) LDHALDHBHAO1ALDH1A1HPGD
SCHEMBL14314321 0.77 TYR (0.47) LDHALDHBHAO1ALDH1A1HPGD
SCHEMBL3037952 0.74 ALDH1A1 (0.61) LDHALDHBHAO1ALDH1A1HPGD
SCHEMBL29785519 0.73 ALDH1A1 (0.70) ALDH1A1HPGDTDP1ALOX15HSD17B10
SCHEMBL6240718 0.73 ALDH1A1 (0.70) ALDH1A1HPGDTDP1ALOX15HSD17B10
SCHEMBL3038244 0.73 KDM4E (0.63) LDHALDHBHAO1ALDH1A1HPGD
SCHEMBL17354460 0.72 MAPT (0.67) LDHALDHBHAO1ALDH1A1HPGD
SCHEMBL17557772 0.70 ALDH1A1 (0.46) ALDH1A1HPGDTDP1ALOX15HSD17B10
SCHEMBL5705025 0.69 ALDH1A1 (0.48) LDHALDHBHAO1ALDH1A1HPGD
SCHEMBL332380 0.69 MAPT (0.62) ALDH1A1HPGDTDP1ALOX15HSD17B10

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
US-8338465-B2 Cyclic carboxylic acid rhodanine derivatives for the treatment and prevention of tuberculosis CORNELL RESEARCH FOUNDATION, INC. (US) 2012-12-25 US disclosed
US-8338465-B2 Cyclic carboxylic acid rhodanine derivatives for the treatment and prevention of tuberculosis CORNELL RESEARCH FOUNDATION, INC. (US) 2012-12-25 US disclosed
US-8338465-B2 Cyclic carboxylic acid rhodanine derivatives for the treatment and prevention of tuberculosis CORNELL RESEARCH FOUNDATION, INC. (US) 2012-12-25 US disclosed
US-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS CORNELL RESEARCH FOUNDATION, INC. 2010-08-19 US disclosed
US-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS CORNELL RESEARCH FOUNDATION, INC. 2010-08-19 US disclosed
US-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS CORNELL RESEARCH FOUNDATION, INC. 2010-08-19 US disclosed
WO-2008005651-A2 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS DECODE CHEMISTRY, INC. (US) 2008-01-10 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-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS RARG, SDHA, RARS2 LDHA 259/4885LDHB 376/4885HAO1 2033/4885

“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.