SCHEMBL21459367

SCHEMBL21459367

Cc1ccc(C(N)CC(=O)O)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 5/20 0.40
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 3/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
CYP2C9 P11712 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
GABBR2 O75899 3/20 0.35
GABBR1 Q9UBS5 3/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
NFKB1 P19838 1/20 0.35
DRD3 P35462 1/20 0.35
BLM P54132 1/20 0.35
CYP1A2 P05177 1/20 0.35
THRB P10828 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
SCHEMBL31303263 1.00 KMT2A (0.43) KMT2ASMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL14580262 0.85 KMT2A (0.46) KMT2ASMN1; SMN2MEN1CYP2C9CYP2D6
Hydrochloric Acid SCHEMBL5154458 0.83 KMT2A (0.44) KMT2ASMN1; SMN2ALDH1A1MEN1CYP2C9
SCHEMBL21459946 0.83 ALDH1A1 (0.39) KMT2ASMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL14580270 0.81 AKR1C3 (0.47) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL14408318 0.80 ALDH1A1 (0.47) KMT2ASMN1; SMN2HPGDALDH1A1CYP2D6
SCHEMBL20545714 0.78 KMT2A (0.47) KMT2ASMN1; SMN2GABBR2GABBR1
SCHEMBL20545715 0.78 KMT2A (0.47) KMT2ASMN1; SMN2GABBR2GABBR1
SCHEMBL20546353 0.78 KMT2A (0.47) KMT2ASMN1; SMN2HPGDMEN1CYP2C9
SCHEMBL20546351 0.78 KMT2A (0.47) KMT2ASMN1; SMN2HPGDMEN1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3773573-B1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC INC (US) 2026-03-18 EP disclosed
US-12221416-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2025-02-11 US disclosed
US-20240294475-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2024-09-05 US disclosed
US-20220340529-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2022-10-27 US disclosed
US-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
US-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
EP-3773573-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) Morphic Therapeutic, Inc. (US) 2021-02-17 EP disclosed
CN-112312910-A Human integrin alpha 4 beta 7 antagonists 莫菲克医疗股份有限公司 2021-02-02 CN disclosed
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2020-12-10 US disclosed
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2020-12-10 US disclosed
US-10759756-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2020-09-01 US disclosed
US-10759756-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2020-09-01 US disclosed
WO-2019200202-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. (US) 2019-10-17 WO disclosed
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2019-10-17 US disclosed
WO-2019200202-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. (US) 2019-10-17 WO disclosed
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2019-10-17 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 (7 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-12221416-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 KMT2A 3945/4885SMN1; SMN2 1921/4885HPGD 3314/4885
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 KMT2A 4210/4885SMN1; SMN2 2490/4885HPGD 3764/4885
US-20220340529-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 KMT2A 4210/4885SMN1; SMN2 2490/4885HPGD 3764/4885
US-20240294475-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 KMT2A 4210/4885SMN1; SMN2 2490/4885HPGD 3764/4885
US-11174228-B2 Antagonists of human integrin (α4)(β7) ITGB7, ITGB4, ITGA4 KMT2A 4095/4885SMN1; SMN2 2406/4885HPGD 3687/4885
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 KMT2A 4210/4885SMN1; SMN2 2490/4885HPGD 3764/4885
US-10759756-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 KMT2A 3945/4885SMN1; SMN2 1921/4885HPGD 3314/4885

“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.