SCHEMBL25839658

SCHEMBL25839658

CCOC(=O)C(F)(F)c1cccc(C(C)=N[S@+]([O-])C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ POLB P06746 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ACHE P22303 2/20 0.38
▸ CNR2 P34972 4/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ THRB P10828 1/20 0.34

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
SCHEMBL25077732 1.00 ACSS2 (0.40) ACSS2MEN1KMT2APOLBNPSR1
SCHEMBL29945770 1.00 ACSS2 (0.40) ACSS2MEN1KMT2APOLBNPSR1
SCHEMBL26375683 1.00 ACSS2 (0.40) ACSS2MEN1KMT2APOLBNPSR1
SCHEMBL30454833 1.00 ACSS2 (0.40) ACSS2MEN1KMT2APOLBNPSR1
SCHEMBL31463895 1.00 ACSS2 (0.40) ACSS2MEN1KMT2APOLBNPSR1
SCHEMBL23526213 0.83 MEN1 (0.44) MEN1KMT2APOLBNPSR1ACHE
SCHEMBL23526210 0.83 MEN1 (0.44) MEN1KMT2APOLBNPSR1ACHE
SCHEMBL25415939 0.83 MEN1 (0.44) MEN1KMT2APOLBNPSR1ACHE
SCHEMBL23526211 0.83 MEN1 (0.44) MEN1KMT2APOLBNPSR1ACHE
SCHEMBL30839869 0.81 KMT2A (0.40) MEN1KMT2APOLBNPSR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293702-A1 QUINAZOLINES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-09-21 — — US disclosed
US-20230293702-A1 QUINAZOLINES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-09-21 — — US disclosed
US-11702418-B2 SOS1 inhibitors Mirati Therapeutics, Inc. (US) 2023-07-18 — — 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 (2 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-20230293702-A1 QUINAZOLINES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS RAB1A, SOS1, IQGAP1 ACSS2 2108/4885MEN1 236/4885KMT2A 4124/4885
US-11702418-B2 SOS1 inhibitors SOS1, SOS2, SOST ACSS2 2029/4885MEN1 184/4885KMT2A 3302/4885

“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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