SCHEMBL20601249

SCHEMBL20601249

Cc1ccc(C(=O)NC(CC2CCN(C(=O)O)CC2)C2CC2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.43
▸ TAS1R1 Q7RTX1 2/20 0.43
▸ KMT2A Q03164 4/20 0.40
▸ POLB P06746 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.37
▸ ITGB3 P05106 2/20 0.37
▸ ITGA2B P08514 2/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ DAO P14920 1/20 0.35

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
SCHEMBL28354935 1.00 TAS1R3 (0.43) TAS1R3TAS1R1KMT2APOLBTDP1
SCHEMBL20618578 0.88 TAS1R3 (0.44) TAS1R3TAS1R1KMT2ANPC1RAB9A
SCHEMBL28355009 0.88 SMYD3 (0.46) KMT2APOLBNPC1RAB9AALDH1A1
SCHEMBL28355010 0.88 SMYD3 (0.46) KMT2APOLBNPC1RAB9AALDH1A1
SCHEMBL20601331 0.87 SMN1; SMN2 (0.42) KMT2ARAB9AALDH1A1MEN1KDM4E
SCHEMBL28354846 0.87 SMN1; SMN2 (0.42) KMT2ARAB9AALDH1A1MEN1KDM4E
SCHEMBL20601330 0.87 SMN1; SMN2 (0.42) KMT2ARAB9AALDH1A1MEN1KDM4E
SCHEMBL20601255 0.86 KDM4E (0.46) TAS1R3TAS1R1KMT2ANPC1RAB9A
SCHEMBL20601254 0.86 KDM4E (0.46) TAS1R3TAS1R1KMT2ANPC1RAB9A
SCHEMBL20601265 0.82 KDM4E (0.45) KMT2ANPC1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-18 — — US disclosed
EP-3645519-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-05-06 — — EP disclosed
CN-110770222-A Modulators of indoleamine2, 3-dioxygenase 葛兰素史克知识产权开发有限公司 2020-02-07 — — CN disclosed
WO-2019003142-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 — — 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 (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-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 TAS1R3 4645/4885TAS1R1 4576/4885KMT2A 1143/4885

“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.

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