SCHEMBL21979302

SCHEMBL21979302

CC(=O)CC(=O)N(C)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.53
▸ HTR3B O95264 1/20 0.53
▸ HTR3A P46098 1/20 0.53
▸ HTR3D Q70Z44 1/20 0.53
▸ HTR3C Q8WXA8 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.46
▸ HSD17B1 P14061 2/20 0.46
▸ HSD17B2 P37059 2/20 0.46
▸ POLQ O75417 1/20 0.46
▸ CTPS1 P17812 1/20 0.46
▸ CRHR1 P34998 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ LMNA P02545 2/20 0.43

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
SCHEMBL7496040 0.85 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11429495 0.85 MAPT (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11339933 0.83 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9824189 0.83 ALDH1A1 (0.39) ALDH1A1POLQKMT2AMEN1LMNA
SCHEMBL28541364 0.82 HSD17B1 (0.50) ALDH1A1HSD17B1HSD17B2NPC1RAB9A
SCHEMBL12101117 0.82 ALDH1A1 (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6386464 0.81 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15979067 0.81 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18056984 0.81 MTNR1A (0.49) ALDH1A1GAANPSR1KMT2ARAB9A
SCHEMBL11383443 0.80 ALDH1A1 (0.46) ALDH1A1POLQMAPTNPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873605-B1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES INC (US) 2024-10-23 — — EP disclosed
CN-112969504-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-04-09 — — CN disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 — — US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 — — US disclosed
EP-3873605-A1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-09-08 — — EP disclosed
CN-112969504-A Compounds for inhibiting alpha 4 beta 7 integrins 吉利德科学公司 2021-06-15 — — CN disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 — — 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 (3 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 HTR3E 3180/4885HTR3B 2461/4885HTR3A 3847/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 HTR3E 3236/4885HTR3B 2471/4885HTR3A 3950/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 HTR3E 3180/4885HTR3B 2461/4885HTR3A 3847/4885

“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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