SCHEMBL10033940

SCHEMBL10033940

O=C(CC(C1CCCCC1)S(=O)(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
CES1 P23141 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PGR P06401 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
CYP2D6 P10635 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
SCHEMBL5195661 0.78 TSHR (0.49) TSHRHPGDMAPK1CYP1A2CYP2C9
SCHEMBL5196083 0.77 TSHR (0.47) TSHRHPGDMAPK1CYP1A2CYP2C9
SCHEMBL5194247 0.77 TSHR (0.47) TSHRHPGDMAPK1CYP1A2CYP2C9
SCHEMBL5196396 0.77 TSHR (0.47) TSHRHPGDMAPK1CYP1A2CYP2C9
SCHEMBL5196388 0.77 TSHR (0.47) TSHRHPGDMAPK1CYP1A2CYP2C9
SCHEMBL8497841 0.75 MEN1 (0.46) TSHRHPGDMAPK1CYP1A2CYP2C9
SCHEMBL12158742 0.75 KMT2A (0.45) TSHRHPGDMAPK1CYP1A2CYP2C9
SCHEMBL29770503 0.71 NPC1 (0.46) CYP1A2KMT2AMEN1MAPTCES1
SCHEMBL14068901 0.71 KMT2A (0.44) TSHRHPGDMAPK1CYP1A2CYP2C9
SCHEMBL10944900 0.69 TSHR (0.58) TSHRHPGDMAPK1KMT2AKDM4E

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-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 US disclosed
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 US disclosed
WO-2010066450-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2010-06-17 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-20120029197-A1 Method for Preparing Sulfur-Containing Compounds SULT1E1, SULT1A1, TST TSHR 3940/4885HPGD 1127/4885MAPK1 1134/4885

“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.