SCHEMBL22983128

SCHEMBL22983128

COC(=O)C1=C(NC(=O)Nc2ccc(I)cc2)COC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.43
▸ KMT2A Q03164 8/20 0.43
▸ RAB9A P51151 7/20 0.43
▸ NPC1 O15118 6/20 0.43
▸ MAPT P10636 7/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CA12 O43570 3/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ATM Q13315 1/20 0.39

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
SCHEMBL19707415 0.72 CA12 (0.68) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL17629476 0.70 ACHE (0.41) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL1564195 0.70 MAPT (0.47) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL4117248 0.66 RAB9A (0.67) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL514281 0.65 SMN1; SMN2 (0.67) KMT2ARAB9ANPC1MAPTALDH1A1
SCHEMBL9250564 0.65 ALDH1A1 (0.64) KMT2ARAB9ANPC1MAPTALDH1A1
SCHEMBL11048701 0.64 MAPT (0.53) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL14107061 0.64 GRIK1 (0.64) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL13554610 0.62 MDM2 (0.76) MEN1KMT2ARAB9AMAPTCA12
SCHEMBL11057395 0.62 MAPT (0.46) RAB9ANPC1MAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431230-A Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2025-02-14 — — CN disclosed
CN-114222730-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-09-10 — — CN disclosed
US-11578069-B2 Compounds for inhibition of α4 β7 integrin GILEAD SCIENCES, INC. (US) 2023-02-14 — — US disclosed
EP-4013499-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-06-22 — — EP disclosed
CN-114222730-A Compounds for inhibiting alpha 4 beta 7 integrins 吉利德科学公司 2022-03-22 — — CN disclosed
US-20210053967-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2021-02-25 — — US disclosed
WO-2021030438-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-02-18 — — WO disclosed
WO-2021030438-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-02-18 — — 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-11578069-B2 Compounds for inhibition of α4 β7 integrin ITGB7, ITGB4, ITGA4 MEN1 4103/4885KMT2A 4153/4885RAB9A 381/4885
US-20210053967-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 MEN1 3477/4885KMT2A 4055/4885RAB9A 397/4885

“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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