SCHEMBL21767489

SCHEMBL21767489

COc1cc(Cl)nc(Cl)c1CCC(C)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 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
SCHEMBL21780624 0.86 ABCB1 (0.38) TAS1R3TAS1R1KMT2AMEN1ALDH1A1
SCHEMBL31072039 0.86 ABCB1 (0.38) TAS1R3TAS1R1KMT2AMEN1ALDH1A1
SCHEMBL21780625 0.80 MEN1 (0.33) KMT2AMEN1SMN1; SMN2
SCHEMBL28566097 0.78 ALDH1A1 (0.32) TAS1R3TAS1R1KMT2AMEN1ALDH1A1
SCHEMBL21780623 0.77 HTR2A (0.36)
SCHEMBL21780640 0.77 HTR2A (0.36)
SCHEMBL22734130 0.76 KDM4E (0.30) ALDH1A1
Hydrochloric Acid SCHEMBL21767605 0.76 HTR2A (0.35) LMNA
Hydrochloric Acid SCHEMBL31072021 0.76 HTR2A (0.35) LMNA
SCHEMBL21767736 0.74 NPC1 (0.40) KMT2AMEN1ALDH1A1LMNAHPGD

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
US-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
US-20220073511-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2022-03-10 US disclosed
US-11021480-B2 Inhibiting (α-V)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2021-06-01 US disclosed
US-20200385384-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN SCHRÖDINGER, LLC 2020-12-10 US disclosed
US-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-11-12 US disclosed
WO-2020047239-A1 INHIBITING αV β6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed
US-20200071322-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-03-05 US disclosed
EP-3617206-A1 INTEGRIN INHIBITORS Morphic Therapeutic, Inc. (US) 2020-03-04 EP 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 (6 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-20220073511-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV TAS1R3 2045/4885TAS1R1 1761/4885KMT2A 4216/4885
US-20200071322-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV TAS1R3 2045/4885TAS1R1 1761/4885KMT2A 4216/4885
US-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV TAS1R3 2045/4885TAS1R1 1761/4885KMT2A 4216/4885
US-20200385384-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV TAS1R3 2045/4885TAS1R1 1761/4885KMT2A 4216/4885
US-11021480-B2 Inhibiting (α-V)(β-6) integrin ITGB6, ITGA6, ITGAV TAS1R3 1744/4885TAS1R1 1564/4885KMT2A 4290/4885
US-11739087-B2 Inhibiting (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV TAS1R3 1744/4885TAS1R1 1564/4885KMT2A 4290/4885

“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.