SCHEMBL5369044

SCHEMBL5369044

Clc1cc(SCc2ccccc2)ncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.50
▸ RIN1 Q13671 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ HTT P42858 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ SMN1; SMN2 Q16637 6/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ BCL6 P41182 1/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ PKM P14618 3/20 0.41
▸ CDC7 O00311 2/20 0.41
▸ DBF4 Q9UBU7 2/20 0.41

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
SCHEMBL27808890 0.83 DAO (0.43) ABL1RIN1HTTSMN1; SMN2NPC1
SCHEMBL21906037 0.76 HSD17B10 (0.50) ABL1RIN1HSD17B10ALDH1A1HTT
SCHEMBL22553421 0.76 KMT2A (0.48) ABL1RIN1HSD17B10HTTSMN1; SMN2
SCHEMBL20609867 0.74 HSD17B10 (0.47) ABL1RIN1HSD17B10ALDH1A1HTT
SCHEMBL308391 0.73 KMT2A (0.55) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL17646831 0.73 MAPT (0.52) ABL1RIN1HSD17B10ALDH1A1TDP1
SCHEMBL9426904 0.73 HSD17B10 (0.50) HSD17B10ALDH1A1HTTTDP1SMN1; SMN2
SCHEMBL9876887 0.72 HSD17B10 (0.50) ABL1RIN1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL1502544 0.72 ABL1 (0.43) ABL1RIN1HSD17B10HTTSMN1; SMN2
SCHEMBL15010146 0.71 SCN9A (0.53) HSD17B10ALDH1A1HTTTDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336593-A1 Compound Having Antitumor Activity And Use Thereof INNOVSTONE THERAPEUTICS LIMITED (CN) 2024-10-10 — — US disclosed
EP-4209485-A1 COMPOUND HAVING ANTITUMOR ACTIVITY AND USE THEREOF Innovstone Therapeutics Limited (CN) 2023-07-12 — — EP disclosed
EP-4209485-A1 COMPOUND HAVING ANTITUMOR ACTIVITY AND USE THEREOF Innovstone Therapeutics Limited (CN) 2023-07-12 — — EP disclosed
CN-116113626-A Compound with anti-tumor activity and application thereof 上海翊石医药科技有限公司 2023-05-12 — — CN disclosed
WO-2022048631-A1 COMPOUND HAVING ANTITUMOR ACTIVITY AND USE THEREOF 上海翊石医药科技有限公司 2022-03-10 — — WO disclosed
US-7291645-B2 Phenylalanine derivatives as alpha 4 integrin inhibitors ELAN PHARMACEUTICALS, INC. (US) 2007-11-06 — — US disclosed
US-7015216-B2 Heteroaryl-β-alanine derivatives as alpha 4 integrin inhibitors ELAN PHARMACEUTICALS, INC. (US) 2006-03-21 — — US disclosed
US-20040127486-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors ELAN PHARMACEUTICALS, INC. 2004-07-01 — — US disclosed
US-6689781-B2 TREATING AN INFLAMMATORY CONDITION IN A MAMMALIAN PATIENT WHICH CONDITION IS MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2004-02-10 — — US disclosed
US-6677339-B2 S-3-(4-(3,5-DICHLOROPYRID-4-YLCARBOXAMIDO)PHENYL)-2-(4,6-DIMET HOXY-1,3,5-TRIAZIN-2-YLAMINO)PROPANOIC ACID FOR EXAMPLE; INHIBIT BINDING OF ALPHA 4 INTEGRINS TO THEIR LIGANDS, FOR TREATING IMMUNE OR INFLAMMATORY DISORDERS CELLTECH R & D LIMITED (GB) 2004-01-13 — — US disclosed
US-20020086882-A1 Heteroaryl-beta-alanine derivatives as alpha 4 integrin inhibitors BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-07-04 — — US disclosed
US-20020055509-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-05-09 — — US disclosed
US-20020028812-A1 Phenylalanine derivatives CELLTECH CHIROSCIENCE LIMITED (GB) 2002-03-07 — — US disclosed
US-6348463-B1 Phenylalanine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2002-02-19 — — US disclosed
WO-2002008222-A2 HETEROARYL-β-ALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2002-01-31 — — WO disclosed
WO-2002008206-A1 3-AMINO-2-(4-AMINOCARBONYLOXY)PHENYL-PROPIONIC ACID DERIVATIVES AS ALPHA-4- INTEGRIN INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2002-01-31 — — WO disclosed
EP-1117657-A1 PHENYLALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2001-07-25 — — EP disclosed
WO-2000018759-A1 PHENYLALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-04-06 — — 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 (5 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-20020055509-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors ITGB4, ITGA4, ITGB3 ABL1 210/4885RIN1 2999/4885HSD17B10 4319/4885
US-20020086882-A1 Heteroaryl-beta-alanine derivatives as alpha 4 integrin inhibitors ITGAL, ITGB4, ITGA4 ABL1 851/4885RIN1 3339/4885HSD17B10 2565/4885
US-20020028812-A1 Phenylalanine derivatives PAH, FPR1, VCAM1 ABL1 641/4885RIN1 1852/4885HSD17B10 2430/4885
US-20240336593-A1 Compound Having Antitumor Activity And Use Thereof PRMT5, PRMT1, PRMT6 ABL1 1556/4885RIN1 895/4885HSD17B10 3315/4885
US-20040127486-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors ITGB4, ITGA4, ITGB3 ABL1 210/4885RIN1 2999/4885HSD17B10 4319/4885

“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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