SCHEMBL1463891

SCHEMBL1463891

O=C(CNS(=O)(=O)Cc1ccc2c(c1)OCO2)Nc1ccccc1Sc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.49
▸ MMP7 P09237 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ MMP12 P39900 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ ATM Q13315 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ BLM P54132 1/20 0.46

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
SCHEMBL12827106 0.75 KMT2A (0.68) ALDH1A1KMT2AL3MBTL1LMNAHPGD
SCHEMBL25386384 0.68 ALDH1A1 (0.68) ALDH1A1KMT2AL3MBTL1LMNAHPGD
SCHEMBL6620820 0.67 KMT2A (0.49) ALDH1A1KMT2ALMNAHPGDMEN1
SCHEMBL11848833 0.65 ALDH1A1 (1.00) ALDH1A1KMT2AL3MBTL1LMNAHPGD
SCHEMBL26264767 0.65 TDP1 (0.71) ALDH1A1KMT2AL3MBTL1LMNAHPGD
SCHEMBL14441238 0.65 HCAR2 (0.62) ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6621607 0.65 KMT2A (0.51) ALDH1A1KMT2AHPGDMEN1CYP1A2
SCHEMBL8636561 0.64 MAPK8 (0.67) ALDH1A1KMT2AHPGDMEN1CYP1A2
SCHEMBL14901035 0.64 RAB9A (0.66) ALDH1A1KMT2AHPGDMEN1CYP1A2
SCHEMBL924831 0.64 ALDH1A1 (0.54) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6

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-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2011-03-24 — — 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-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES CREBBP, TEAD1, SREBF1 MMP1 3521/4885MMP7 1996/4885MMP8 2235/4885

“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.

Send feedback