SCHEMBL13610858

SCHEMBL13610858

CC(C)(C)Nc1ccc(C(=O)O)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
ACLY P53396 1/20 0.49
MYC P01106 1/20 0.45
NR4A1 P22736 1/20 0.45
KDM4E B2RXH2 4/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
NR1H4 Q96RI1 2/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 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
SCHEMBL14185026 0.83 RAF1 (0.45) SMN1; SMN2KDM4ENPC1MAPTRAB9A
SCHEMBL22504471 0.81 KMT2A (0.53) TSHRKDM4EMAPTRAB9APOLB
SCHEMBL2345038 0.80 SMN1; SMN2 (0.57) SMN1; SMN2TSHRCASP1ACLYMYC
SCHEMBL13623800 0.79 SMN1; SMN2 (0.52) SMN1; SMN2TSHRCASP1ACLYMYC
SCHEMBL753288 0.79 EPHX2 (0.46) TSHRNR1H4HTTALDH1A1MEN1
SCHEMBL846357 0.79 TSHR (0.47) SMN1; SMN2TSHRCASP1ACLYMYC
SCHEMBL13240444 0.78 SMN1; SMN2 (0.46) SMN1; SMN2TSHRCASP1ACLYMYC
SCHEMBL1304698 0.77 RORC (0.54) SMN1; SMN2TSHRCASP1MYCKDM4E
SCHEMBL5777560 0.77 MAPT (0.73) SMN1; SMN2TSHRCASP1ACLYMYC
SCHEMBL4697609 0.76 CA12 (0.46) SMN1; SMN2TSHRCASP1ACLYKDM4E

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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 US disclosed
US-20080125399-A1 17 Beta-Acetamide-4-Azasteroids As Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2008-05-29 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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 SMN1; SMN2 2847/4885TSHR 99/4885CASP1 2888/4885
US-20080125399-A1 17 Beta-Acetamide-4-Azasteroids As Androgen Receptor Modulators AR, CYP17A1, SHBG SMN1; SMN2 1935/4885TSHR 1300/4885CASP1 3958/4885

“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.