SCHEMBL2420028

SCHEMBL2420028

OB(O)Oc1ccccc1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
HTR2C P28335 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38

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
SCHEMBL960732 0.86 TDP1 (0.44) ALDH1A1LMNAHTR7
SCHEMBL30725510 0.86 TDP1 (0.44) ALDH1A1LMNAHTR7
SCHEMBL2413434 0.83 SYK (0.46) PTGS2ALDH1A1LMNAMAPTDRD1
SCHEMBL5377023 0.83 SLC6A4 (0.44) SLC6A4SLC6A3PTGS2PTGS1ALDH1A1
SCHEMBL2410442 0.82 KIF11 (0.46) ALDH1A1ORAI1ORAI2ORAI3TRPV6
SCHEMBL31657742 0.81 ENPP2 (0.39) ALDH1A1LMNAMAPTHTR7ORAI1
SCHEMBL30789177 0.80 FFAR4 (0.39) SLC6A4MAPTFFAR4
SCHEMBL21809381 0.79 ADRA2A (0.41) ALDH1A1LMNAMAPT
SCHEMBL31501815 0.79 MMP3 (0.40) PTGS1PDK2
SCHEMBL31338564 0.78 ERN1 (0.36) ALDH1A1MAPTHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 US disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 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-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof PPARA, PPARD, PPARG SLC6A4 3050/4885SLC6A3 3470/4885PTGS2 1745/4885

“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.