SCHEMBL2436052

SCHEMBL2436052

Cc1cc(C(=O)Nc2c(C(=O)O)cccc2C(C)C)c(C)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.55
MYC P01106 1/20 0.44
LMNA P02545 2/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
P2RX7 Q99572 1/20 0.39

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
SCHEMBL1383445 0.93 NOTUM (0.52) NOTUMLMNAKMT2APOLBCNR1
SCHEMBL1383195 0.90 NOTUM (0.49) NOTUMLMNAKMT2APOLBCNR1
SCHEMBL1379747 0.88 NOTUM (0.53) NOTUMMYCLMNAPOLBCNR1
SCHEMBL1380593 0.86 NOTUM (0.55) NOTUMMYCLMNAPOLBALDH1A1
SCHEMBL1381582 0.85 NOTUM (0.49) NOTUMLMNACNR1CNR2ALDH1A1
SCHEMBL1383091 0.83 NOTUM (0.52) NOTUMMYCLMNAKMT2ACNR1
SCHEMBL1381153 0.82 NOTUM (0.49) NOTUMMYCLMNAPOLBCNR1
SCHEMBL1381792 0.81 NOTUM (0.51) NOTUMLMNAPOLBCNR1CNR2
SCHEMBL2442539 0.80 MAPT (0.57) NOTUMMYCLMNAPOLBCNR1
SCHEMBL1382297 0.80 HTT (0.46) NOTUMLMNAKMT2APOLBCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026237-B2 For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide EXELIXIS, INC. (US) 2011-09-27 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 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-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 NOTUM 1646/4885MYC 4455/4885LMNA 4213/4885

“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.