SCHEMBL6487970

SCHEMBL6487970

CC(C)CSc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TAS2R14 Q9NYV8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
SRD5A2 P31213 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MAPT P10636 1/20 0.41
RARB P10826 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
TYR P14679 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
SCHEMBL15218699 0.90 TRPA1 (0.51) HTTMAPK1MTNR1AMTNR1BKMT2A
SCHEMBL31632675 0.87 HTT (0.49) HTTTP53TSHRMAPK1MTNR1A
SCHEMBL22638677 0.81 TSHR (0.46) HTTTP53TSHRMTNR1AMTNR1B
SCHEMBL10871694 0.80 HPGD (0.66) MAPK1MTNR1AMTNR1BKMT2AALDH1A1
SCHEMBL2585292 0.80 KMT2A (0.49) TSHRKMT2AALDH1A1MAPTCA1
SCHEMBL11359981 0.80 GSK3B (0.48) TP53MAPK1MTNR1AMTNR1BKMT2A
SCHEMBL10871054 0.80 HPGD (0.50) HTTMAPK1MTNR1AMTNR1BKMT2A
SCHEMBL5315809 0.79 APEX1 (0.63) MTNR1AMTNR1BKMT2AALDH1A1MAOA
SCHEMBL6477127 0.79 RARB (0.54) HTTTP53TSHRMAPK1KMT2A
SCHEMBL8593467 0.78 PTGS2 (0.56) TSHRMTNR1AMTNR1BRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 US disclosed
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 US disclosed
US-6887863-B2 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES (US) 2005-05-03 US disclosed
EP-1272456-B1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2004-10-27 EP disclosed
US-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBVIE INC. 2004-08-26 US disclosed
EP-1272456-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2003-01-08 EP disclosed
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES 2002-01-03 US disclosed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 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 (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-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt S1PR1, S1PR2, S1PR4 HTT 4097/4885TP53 1259/4885TSHR 1154/4885
US-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP HTT 3740/4885TP53 3842/4885TSHR 4312/4885
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP HTT 3740/4885TP53 3842/4885TSHR 4312/4885

“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.