SCHEMBL23520755

SCHEMBL23520755

C/C(=N\[S+]([O-])C(C)(C)C)c1cccc(C(F)(F)CO)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ACHE P22303 3/20 0.38
▸ GAA P10253 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.34
▸ CES2 O00748 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ TP53BP1 Q12888 1/20 0.31

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
SCHEMBL23520759 1.00 KMT2A (0.39) KMT2AMEN1ACHEGAANPSR1
SCHEMBL29755156 0.86 KMT2A (0.43) KMT2AMEN1ACHEGAANPSR1
SCHEMBL20792450 0.86 KMT2A (0.52) KMT2AMEN1GAANPSR1CES2
SCHEMBL29180795 0.86 KMT2A (0.43) KMT2AMEN1ACHEGAANPSR1
SCHEMBL21132427 0.86 KMT2A (0.52) KMT2AMEN1GAANPSR1CES2
SCHEMBL29949168 0.86 KMT2A (0.52) KMT2AMEN1GAANPSR1CES2
SCHEMBL21133184 0.86 KMT2A (0.43) KMT2AMEN1ACHEGAANPSR1
SCHEMBL22321401 0.86 KMT2A (0.52) KMT2AMEN1GAANPSR1CES2
SCHEMBL21133185 0.86 KMT2A (0.43) KMT2AMEN1ACHEGAANPSR1
SCHEMBL30839869 0.83 KMT2A (0.40) KMT2AMEN1ACHEGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210177851-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-06-17 — — 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 (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-20210177851-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOS2, SOST KMT2A 3346/4885MEN1 128/4885ACHE 4089/4885

“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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