SCHEMBL20601328

SCHEMBL20601328

CCc1ccc(C(=O)N[C@@H](CC2CCN(C(=O)O)CC2)c2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.44
▸ ITGB3 P05106 4/20 0.43
▸ ITGA2B P08514 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ ITGAV P06756 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HPGDS O60760 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ KCNK3 O14649 3/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ F2 P00734 2/20 0.37

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
SCHEMBL20601215 1.00 SMYD3 (0.44) SMYD3ITGB3ITGA2BHPGDRAB9A
SCHEMBL23111095 0.90 TSHR (0.46) SMYD3ITGB3ITGA2BHPGDRAB9A
SCHEMBL28351427 0.89 GRIN2B (0.44) SMYD3ITGB3ITGA2BHPGDRAB9A
SCHEMBL20618550 0.89 GRIN2B (0.44) SMYD3ITGB3ITGA2BHPGDRAB9A
SCHEMBL23111438 0.88 KDM4E (0.49) SMYD3ITGB3ITGA2BRAB9ASMN1; SMN2
SCHEMBL20601234 0.88 KDM4E (0.49) SMYD3ITGB3ITGA2BRAB9ASMN1; SMN2
SCHEMBL28355010 0.84 SMYD3 (0.46) SMYD3ITGB3ITGA2BHPGDRAB9A
SCHEMBL28355009 0.84 SMYD3 (0.46) SMYD3ITGB3ITGA2BHPGDRAB9A
SCHEMBL20601388 0.84 SLC8A1 (0.42) SMYD3ITGB3ITGA2BHPGDRAB9A
SCHEMBL20601383 0.84 SLC8A1 (0.42) SMYD3ITGB3ITGA2BHPGDRAB9A

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 SMYD3 2641/4885ITGB3 4503/4885ITGA2B 4280/4885

“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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