SCHEMBL14417747

SCHEMBL14417747

Cc1ccc(S(=O)(=O)NCc2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.61
▸ CES2 O00748 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ HPGD P15428 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ ALOX15 P16050 2/20 0.61
▸ BRCA1 P38398 2/20 0.61
▸ BLM P54132 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.52
▸ APAF1 O14727 1/20 0.52
▸ TERT O14746 1/20 0.52
▸ EED O75530 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ AKR1B1 P15121 1/20 0.52
▸ ALOX12 P18054 1/20 0.52

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
SCHEMBL14417748 0.91 MEN1 (0.58) MEN1CES2ALDH1A1HPGDKMT2A
SCHEMBL14417741 0.80 MEN1 (0.67) MEN1CES2ALDH1A1HPGDKMT2A
SCHEMBL28411969 0.80 MEN1 (0.67) MEN1CES2ALDH1A1HPGDKMT2A
SCHEMBL14417744 0.80 MEN1 (0.51) MEN1CES2ALDH1A1HPGDKMT2A
SCHEMBL14417726 0.79 MEN1 (0.64) MEN1CES2ALDH1A1HPGDKMT2A
SCHEMBL14417699 0.78 MEN1 (0.63) MEN1CES2ALDH1A1HPGDKMT2A
Tanshinone Iia Sulfonic Acid SCHEMBL30094475 0.76 MEN1 (1.00) MEN1CES2ALDH1A1HPGDKMT2A
Tanshinone Iia Sulfonic Acid SCHEMBL28665868 0.76 MEN1 (1.00) MEN1CES2ALDH1A1HPGDKMT2A
SCHEMBL14417731 0.75 NAMPT (0.61) MEN1CES2ALDH1A1HPGDKMT2A
Tanshinone Iia Sulfonic Acid SCHEMBL14417738 0.74 MEN1 (0.80) MEN1CES2ALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070207989-A1 DITERPENE DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR, CANCER AND INFLAMMATORY DISEASES SAVIPU PHARMACEUTICALS (US) 2007-09-06 — — 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-20070207989-A1 DITERPENE DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR, CANCER AND INFLAMMATORY DISEASES NFKBIA, EDNRA, EDNRB MEN1 3639/4885CES2 4449/4885ALDH1A1 2108/4885

“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.

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