SCHEMBL3625987

SCHEMBL3625987

COc1ccc(C)cc1S(=O)(=O)N1CCc2c(C=O)cccc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
USP2 O75604 2/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 5/20 0.51
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.44
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43

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
SCHEMBL3614153 0.90 KMT2A (0.51) KMT2AUSP2GAATSHRALDH1A1
SCHEMBL3623725 0.85 KMT2A (0.55) KMT2AUSP2GAATSHRALDH1A1
SCHEMBL3626204 0.80 KMT2A (0.49) KMT2AUSP2GAATSHRALDH1A1
SCHEMBL3623663 0.79 TSHR (0.51) KMT2AUSP2GAATSHRALDH1A1
SCHEMBL3626085 0.78 ALDH1A1 (0.52) KMT2AUSP2GAATSHRALDH1A1
Trifluoroacetic Acid SCHEMBL3626187 0.74 CPT1A (0.44) KMT2AUSP2GAATSHRALDH1A1
SCHEMBL3620704 0.74 ALDH1A1 (0.43) KMT2AUSP2GAATSHRALDH1A1
Trifluoroacetic Acid SCHEMBL3622909 0.73 ALDH1A1 (0.46) KMT2AUSP2GAATSHRALDH1A1
SCHEMBL5960057 0.72 PDE4A (0.52) KMT2AGAAALDH1A1MEN1MAPT
Trifluoroacetic Acid SCHEMBL3617279 0.72 ALDH1A1 (0.47) KMT2AUSP2GAATSHRALDH1A1

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
EP-2046741-B1 INDOLES AS 5-HT6 MODULATORS PROXIMAGEN LTD (GB) 2012-10-31 EP disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 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-20080032968-A1 New compounds HTR6, HTR1B, HTR1A KMT2A 3558/4885USP2 4564/4885GAA 2948/4885

“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.