SCHEMBL9897446

SCHEMBL9897446

CC(C)(C)Oc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)cc2)cc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
CPT2 P23786 1/20 0.45
CPT1A P50416 1/20 0.45
BRAF P15056 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 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
SCHEMBL1458438 0.89 TAS1R3 (0.56) MAPTLMNAGAATAS1R3TAS1R1
SCHEMBL1458012 0.88 LMNA (0.60) MAPTLMNAGAATAS1R3TAS1R1
SCHEMBL9895287 0.88 MAPT (0.47) MAPTLMNAGAATAS1R3TAS1R1
SCHEMBL9944276 0.87 MAPT (0.47) MAPTLMNAGAATAS1R3TAS1R1
SCHEMBL1458055 0.86 MAPT (0.49) MAPTLMNAGAATAS1R3TAS1R1
SCHEMBL9894969 0.86 TAS1R3 (0.52) MAPTLMNAGAATAS1R3TAS1R1
SCHEMBL1458563 0.85 MEN1 (0.60) MAPTLMNAGAATAS1R3TAS1R1
SCHEMBL9944081 0.85 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL9944325 0.81 MAPT (0.47) MAPTLMNAGAATAS1R3TAS1R1
SCHEMBL17522772 0.81 TAS1R3 (0.47) MAPTLMNAGAATAS1R3TAS1R1

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-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
CN-102639487-A Therapeutic aryl-amido-aryl compounds and their uses KING S COLLEGE LONDON 2012-08-15 CN disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 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 (2 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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG MAPT 150/4885LMNA 1825/4885GAA 149/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG MAPT 150/4885LMNA 1825/4885GAA 149/4885

“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.