SCHEMBL25820159

SCHEMBL25820159

CC(C)Cc1ccnc2ccc(S(N)(=O)=O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
CA9 Q16790 4/20 0.39
HRH4 Q9H3N8 2/20 0.38
PKM P14618 1/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
S1PR1 P21453 1/20 0.38
CHRNA7 P36544 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BRAF P15056 1/20 0.36
RIPK1 Q13546 2/20 0.36
RIPK2 O43353 1/20 0.35
RIPK3 Q9Y572 1/20 0.35
MAPT P10636 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
SCHEMBL25820152 0.87 HRH4 (0.46) HRH4KDM4EPOLBSMN1; SMN2RIPK1
SCHEMBL28173314 0.78 TAAR1 (0.43) TAAR1PLGPLAUPLATCA9
SCHEMBL25820130 0.78 KDM4E (0.43) KDM4ESMN1; SMN2MAPTTRPV1
SCHEMBL25820095 0.76 HTR1A (0.51) KDM4EPOLBSMN1; SMN2TRPV1
SCHEMBL25820135 0.75 CCNC (0.47) RIPK1MAPT
SCHEMBL25820137 0.75 HRH4 (0.48) HRH4KDM4ERIPK2RIPK3TRPV1
SCHEMBL25820075 0.75 CCNC (0.42) TRPV1
SCHEMBL23999580 0.74 CA9 (0.54) TAAR1PLGPLAUPLATCA9
SCHEMBL25830864 0.74 GAK (0.50) PLGPLAUPLATCA9CA12
SCHEMBL2595325 0.73 CA9 (0.50) TAAR1PLGPLAUPLATCA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR TAAR1 4651/4885PLG 2122/4885PLAU 3815/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA TAAR1 4415/4885PLG 3072/4885PLAU 4179/4885

“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.