SCHEMBL2000520

SCHEMBL2000520

CC(C)c1ccccc1-n1cc(C(=O)O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.50
NR4A2 P43354 1/20 0.46
ALDH1A1 P00352 2/20 0.45
RORC P51449 7/20 0.44
KDM4E B2RXH2 1/20 0.43
PLK1 P53350 3/20 0.41
MYC P01106 1/20 0.41
NOTUM Q6P988 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C1 Q04828 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL2000654 0.85 NR4A2 (0.63) HTR7NR4A2ALDH1A1KDM4E
SCHEMBL15174383 0.81 RORC (0.53) HTR7NR4A2ALDH1A1RORCKDM4E
SCHEMBL2001794 0.79 SMN1; SMN2 (0.47) KDM4ECYP3A4
SCHEMBL27697431 0.77 NR4A2 (0.56) NR4A2RORCKDM4ECYP3A4CYP2C9
SCHEMBL2001384 0.76 CFTR (0.45) HTR7
SCHEMBL31601057 0.75 NR4A2 (0.69) NR4A2RORCKDM4EAKR1C3AKR1C1
SCHEMBL11553625 0.75 NR4A2 (0.69) NR4A2RORCKDM4EAKR1C3AKR1C1
SCHEMBL17782448 0.73 NR4A2 (0.70) NR4A2ALDH1A1KDM4E
SCHEMBL1259543 0.72 L3MBTL1 (0.49) ALDH1A1KDM4EMYCNOTUMAKR1C3
SCHEMBL2082208 0.72 CA12 (0.52) ALDH1A1PLK1AKR1C3AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960569-B2 Such as 3-(2-isopropylphenyl)-N-phenyl-1H-indol-1-carboxamide; purinergic receptors (P2Y1) BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
EP-2077992-A2 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Brystol-Myers Squibb Company (US) 2009-07-15 EP disclosed
US-20080221197-A1 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2008-09-11 US disclosed
WO-2008048981-A2 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-24 WO 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-20080221197-A1 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 HTR7 71/4885NR4A2 1759/4885ALDH1A1 2665/4885

“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.