SCHEMBL24252997

SCHEMBL24252997

Cc1cc(OS(=O)(=O)C(F)(F)F)cc(OCc2cccc(C#N)c2)c1C=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.46
PDCD1 Q15116 8/20 0.44
CD274 Q9NZQ7 8/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
HTR6 P50406 2/20 0.41
GRM5 P41594 1/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL24253039 0.85 CD274 (0.42) MRGPRX4PDCD1CD274
SCHEMBL20607722 0.79 NPC1 (0.44) FFAR1MAOBMAOA
SCHEMBL2028163 0.76 MAOB (0.44) MAOBMAOA
SCHEMBL12586745 0.73 HTR1D (0.33)
SCHEMBL24252540 0.72 MRGPRX4 (0.47) MRGPRX4PDCD1CD274FFAR1FFAR4
SCHEMBL16097056 0.72 MAPT (0.41) FFAR4MAOBMAOA
SCHEMBL1252245 0.71 CXCR2 (0.34) HTR6
SCHEMBL26047483 0.71 HDAC8 (0.50) MAOBMAOA
SCHEMBL24253017 0.71 PDCD1 (0.70) PDCD1CD274
SCHEMBL16096596 0.70 MAPT (0.42) MRGPRX4PDCD1CD274FFAR4MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2023-09-28 US disclosed
US-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2023-09-28 US disclosed
EP-4198017-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Academy of Military Medical Sciences (CN) 2023-06-21 EP disclosed
WO-2022033303-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 中国人民解放军军事科学院军事医学研究院 2022-02-17 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 (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-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF CD274, PDCD1, PDCD1LG2 MRGPRX4 3340/4885PDCD1 2/4885CD274 1/4885

“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.