SCHEMBL26666458

SCHEMBL26666458

O=C1Cc2ccc(F)c(F)c2N1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.47
TDP2 O95551 10/20 0.43
CMA1 P23946 2/20 0.43
PDK2 Q15119 1/20 0.39
EIF2AK2 P19525 1/20 0.38
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP6 P55212 1/20 0.37
CASP8 Q14790 1/20 0.37
MAP3K14 Q99558 1/20 0.37
GRM5 P41594 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL30062471 0.82 SRD5A1 (0.41) KMT2A
SCHEMBL223361 0.81 AHR (0.58) AHRTDP2CMA1PDK2EIF2AK2
SCHEMBL31116942 0.81 AHR (0.53) AHRTDP2CMA1PDK2EIF2AK2
SCHEMBL19629850 0.81 AHR (0.44) AHRTDP2CMA1PDK2EIF2AK2
SCHEMBL25248436 0.81 AHR (0.44) AHRTDP2CMA1PDK2EIF2AK2
SCHEMBL18289475 0.80 AHR (0.59) AHRTDP2CMA1PDK2EIF2AK2
SCHEMBL261018 0.76 AHR (0.61) AHRTDP2PDK2CASP3CASP7
SCHEMBL30536606 0.72 AHR (0.36) AHRTDP2CMA1PDK2EIF2AK2
SCHEMBL25197491 0.71 AHR (0.36) AHRTDP2CMA1PDK2
SCHEMBL31708271 0.70 AHR (0.36) AHRTDP2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175114-A1 BORON CONTAINING COMPOUNDS AND THERAPEUTIC USES THEREOF Shanghai Yuyao Biotech Ltd. (CN) 2024-08-29 WO disclosed
US-20240150287-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF HANGZHOU APELOA MEDICINE RESEARCH INSTITUTE CO., LTD. (CN) 2024-05-09 US disclosed
EP-4282865-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Hangzhou Apeloa Medicine Research Institute Co., Ltd. (CN) 2023-11-29 EP disclosed
EP-4282865-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Hangzhou Apeloa Medicine Research Institute Co., Ltd. (CN) 2023-11-29 EP disclosed
CN-116997550-A N- (benzoyl) -phenylalanine compounds, pharmaceutical compositions containing same and application thereof 杭州普洛药物研究院有限公司 2023-11-03 CN disclosed
CN-114853659-A N- (benzoyl) -phenylalanine compounds, pharmaceutical compositions containing same, and uses thereof 普洛药业股份有限公司 2022-08-05 CN 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 (1 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-20240150287-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF ITGB7, ITGB4, ITGA4 AHR 1172/4885TDP2 3861/4885CMA1 1058/4885

“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.