SCHEMBL16508384

SCHEMBL16508384

CCCN(C(=O)c1ccccc1)c1cccc(C(=O)O)c1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
LTB4R2 Q9NPC1 2/20 0.43
TSHR P16473 1/20 0.41
MYC P01106 1/20 0.41
POLB P06746 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
STAT3 P40763 1/20 0.38
ADRA2C P18825 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL16508380 0.89 TSHR (0.52) TP53LTB4R2TSHRMYCPOLB
SCHEMBL1807673 0.85 TSHR (0.43) TP53LTB4R2TSHRHDAC1HDAC6
SCHEMBL16508376 0.82 MYC (0.43) LTB4R2TSHRMYCPOLBALDH1A1
SCHEMBL28284122 0.76 ADRA2C (0.37) LTB4R2TSHRPOLBADRA2CALDH1A1
SCHEMBL1802642 0.76 SLC6A3 (0.41) TP53TSHRHDAC1HDAC6
SCHEMBL23748614 0.75 ALDH1A1 (0.44) TP53TSHRPOLBALDH1A1HPGD
SCHEMBL23748650 0.74 KDM4E (0.41) TP53TSHRPOLBALDH1A1HPGD
SCHEMBL5515003 0.74 TP53 (0.49) TP53LTB4R2TSHRALDH1A1
SCHEMBL9001626 0.74 ADRA2C (0.65) TP53TSHRPOLBADRA2CALDH1A1
SCHEMBL1803233 0.73 TSHR (0.54) TP53LTB4R2TSHRPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464060-B2 Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-11 US disclosed
US-20150057298-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2015-02-26 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 (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-20150057298-A1 NOVEL COMPOUNDS F12, C1R, CHRM1 TP53 2184/4885LTB4R2 325/4885TSHR 364/4885

“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.