SCHEMBL3018937

SCHEMBL3018937

Cc1cccc([C@@H](O)[C@H](C)NC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ASAH1 Q13510 1/20 0.44
ACER2 Q5QJU3 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA1A P35348 1/20 0.44
RGS12 O14924 1/20 0.44
GLA P06280 1/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
ADRA2C P18825 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR2A P28223 1/20 0.44
THPO P40225 1/20 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
SCHEMBL3018939 1.00 ACP3 (0.45) ACP3ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL27181475 0.85 HIF1A (0.57) ALDH1A1CYP3A4CYP2C9CYP2C19ASAH1
SCHEMBL16164987 0.84 ADRA2C (0.62) ALDH1A1CYP3A4CYP2C9CYP2C19ASAH1
SCHEMBL836188 0.81 HTR1A (0.54) ALDH1A1ADRA1AGPR139KMT2AMEN1
SCHEMBL836189 0.81 HTR1A (0.54) ALDH1A1ADRA1AGPR139KMT2AMEN1
SCHEMBL850934 0.81 CTSK (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL14771648 0.81 ADRA1A (0.63) ACP3ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2728060 0.79 HTT (0.53) ACP3ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL19292956 0.78 ALDH1A1 (0.36) ACP3ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6055386 0.78 ACHE (0.48) ACP3ALDH1A1ADRA1AADRA2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 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 (3 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 ACP3 1240/4885ALDH1A1 699/4885CYP3A4 12/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 ACP3 1240/4885ALDH1A1 699/4885CYP3A4 12/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 ACP3 1240/4885ALDH1A1 699/4885CYP3A4 12/4885

“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.