SCHEMBL7106760

SCHEMBL7106760

COc1cc2cc(C(N)=O)sc2cc1OC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 15/20 0.61
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
ACHE P22303 3/20 0.51
F9 P00740 1/20 0.49
F10 P00742 1/20 0.49

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
SCHEMBL25437283 0.87 STING1 (0.54) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9204578 0.84 STING1 (0.63) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1589579 0.84 STING1 (0.68) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10401001 0.83 F9 (0.68) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1590372 0.83 STING1 (0.61) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1590345 0.83 STING1 (0.61) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10692662 0.82 STING1 (0.50) STING1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL7276075 0.81 F9 (0.67) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10400717 0.81 HDAC1 (0.80) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20049489 0.80 HDAC3 (0.64) STING1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0158380-B1 BENZOTHIAZOLE AND BENZOTHIOPHENE DERIVATIVES AKZO N.V. (NL) 1989-01-11 EP claimed
EP-0158380-A1 Benzothiazole and benzothiophene derivatives AKZO N.V. (NL) 1985-10-16 EP claimed
US-20030109570-A1 Activate a peroxisome proliferator-activated receptor (PPAR) alpha or gamma which is an intranuclear transcription factor. The compound may be used as an active ingredient to give a drug for preventing or treating a variety of diseases MITSUI CHEMICALS, INC. (JP) 2003-06-12 US disclosed
EP-1284265-A1 BENZOTHIOPHENE DERIVATIVES AND MEDICINAL USE THEREOF Mitsui Chemicals, Inc. (JP) 2003-02-19 EP disclosed
US-4929636-A Positive inotrophic benzothiazole and benzothiophene compositions and method of use therefor AKZO N.V. (NL) 1990-05-29 US disclosed
EP-0158380-B1 BENZOTHIAZOLE AND BENZOTHIOPHENE DERIVATIVES AKZO N.V. (NL) 1989-01-11 EP disclosed
US-4665206-A Benzothiophene derivatives AKZO N.V. (NL) 1987-05-12 US disclosed
EP-0158380-A1 Benzothiazole and benzothiophene derivatives AKZO N.V. (NL) 1985-10-16 EP 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-20030109570-A1 Activate a peroxisome proliferator-activated receptor (PPAR) alpha or gamma which is an intranuclear transcription factor. The compound may be used as an active ingredient to give a drug for preventing or treating a variety of diseases PPARG, PPARA, PPARD STING1 878/4885HDAC3 160/4885HDAC4 248/4885

“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.