SCHEMBL6486405

SCHEMBL6486405

CC(C)(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
RARB P10826 1/20 0.44
RARG P13631 1/20 0.44
SRD5A2 P31213 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
TYR P14679 1/20 0.40
DRD1 P21728 1/20 0.40
CA4 P22748 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
SCHEMBL31632673 0.87 HTT (0.49) HTTTP53TSHRRARBRARG
SCHEMBL11940980 0.81 APEX1 (0.40) HTTTP53TSHRRARBRARG
SCHEMBL6477315 0.79 APEX1 (0.63) HTTALDH1A1SMN1; SMN2RXRARXRB
SCHEMBL23149201 0.79 ALDH1A1 (0.42) HTTTP53TSHRRARBRARG
SCHEMBL504032 0.78 HTT (0.55) HTTTP53TSHRSRD5A2ALDH1A1
SCHEMBL10080198 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL14309133 0.74 PKM (0.54) HTTTP53TSHRSRD5A2ALDH1A1
SCHEMBL1017821 0.74 HTT (0.51) HTTTP53TSHRRARBALDH1A1
SCHEMBL3901459 0.74 NPC1 (0.42) HTTTP53TSHRSRD5A2ALDH1A1
SCHEMBL5441804 0.74 FFAR1 (0.65) HTTTP53TSHRSRD5A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.