SCHEMBL17801922

SCHEMBL17801922

COc1ccc(CN(CC=O)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
USP2 O75604 1/20 0.55
TDP1 Q9NUW8 3/20 0.52
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HTT P42858 2/20 0.49
ACHE P22303 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LDHA P00338 1/20 0.47
SNCA P37840 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALOX12 P18054 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
APLNR P35414 1/20 0.46
LPAR1 Q92633 1/20 0.46
LPAR5 Q9H1C0 1/20 0.46
MAPT P10636 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.46

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
SCHEMBL3484433 0.86 TDP1 (0.60) TSHRUSP2TDP1ALDH1A1NPSR1
SCHEMBL30954944 0.83 TSHR (0.45) TSHRUSP2TDP1ALDH1A1NPSR1
SCHEMBL3127194 0.83 LOXL2 (0.51) TSHRTDP1ALDH1A1SMN1; SMN2LPAR1
SCHEMBL376141 0.79 LMNA (0.52) TSHRTDP1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL3614141 0.79 TDP1 (0.54) TSHRUSP2TDP1ALDH1A1NPSR1
SCHEMBL20472128 0.79 TDP1 (0.54) TSHRUSP2TDP1ALDH1A1NPSR1
SCHEMBL7965956 0.78 SMN1; SMN2 (0.46) TDP1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11806780 0.78 ALDH1A1 (0.56) TSHRUSP2TDP1ALDH1A1NPSR1
SCHEMBL9416611 0.78 TSPO (0.58) TSHRUSP2TDP1ALDH1A1NPSR1
SCHEMBL18646559 0.77 TSHR (0.62) TSHRUSP2TDP1ALDH1A1NPSR1

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
WO-2024116086-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-06 WO disclosed
EP-3227263-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2019-04-10 EP disclosed
US-10202368-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2019-02-12 US disclosed
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-16 US disclosed
EP-3227263-A1 CXCR7 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd (CH) 2017-10-11 EP disclosed
WO-2016087370-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2016-06-09 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-10202368-B2 CXCR7 receptor modulators CXCR1, CXCR5, CXCR2 TSHR 321/4885USP2 4202/4885TDP1 4208/4885
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 TSHR 269/4885USP2 4231/4885TDP1 4274/4885

“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.