SCHEMBL5203249

SCHEMBL5203249

CC(C)(C)c1ccc(-c2nnc(-c3ccc(C(=O)O)cc3N)o2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.61
KDM4E B2RXH2 4/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
NR1H4 Q96RI1 1/20 0.48
S1PR4 O95977 1/20 0.47
S1PR5 Q9H228 1/20 0.47
IKBKB O14920 2/20 0.46
TP53 P04637 1/20 0.46
MYC P01106 1/20 0.46
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
RXRA P19793 1/20 0.43

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
SCHEMBL5207718 0.88 KDM4E (0.51) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL5206623 0.84 NPC1 (0.68) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL21760737 0.83 NPC1 (0.66) S1PR1KDM4ENPC1RAB9ANR1H4
SCHEMBL5206450 0.81 MAPT (0.45) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL1505169 0.80 MYC (0.58) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL968281 0.80 MYC (0.58) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL968770 0.80 NPC1 (0.66) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL12171814 0.78 RXRB (0.67) S1PR1NPC1RAB9AMAPTNR1H4
SCHEMBL5206695 0.77 ABCG2 (0.54) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL5206430 0.76 S1PR1 (0.64) S1PR1KDM4ENPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223791-B2 Function regulator for retinoid relative receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-29 US disclosed
US-20040157881-A1 Function regulator for retinoid relative receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
EP-1405636-A1 FUNCTION REGULATOR FOR RETINOID RELATIVE RECEPTOR Takeda Chemical Industries, Ltd. (JP) 2004-04-07 EP 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-20040157881-A1 Function regulator for retinoid relative receptor RXRA, RARA, RARG S1PR1 1456/4885KDM4E 2371/4885NPC1 828/4885

“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.