SCHEMBL6896865

SCHEMBL6896865

O=C1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCN1CC1CCN(c2ccncc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.50
CYP3A4 P08684 4/20 0.46
CYP2C9 P11712 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP2D6 P10635 2/20 0.46
HIF1A Q16665 1/20 0.46
HTR2B P41595 3/20 0.43
MAPK1 P28482 1/20 0.43
PKM P14618 1/20 0.42
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 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
Hydrochloric Acid SCHEMBL6894715 0.99 LSS (0.49) LSSCYP3A4CYP2C9CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL6894374 0.91 LSS (0.47) LSSCYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL6887379 0.88 LSS (0.45) LSSCYP3A4CYP2C9CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL6893853 0.87 LSS (0.45) LSSCYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL8114940 0.86 TPSAB1 (0.55) LSSSMN1; SMN2PKMTSHRGAA
SCHEMBL6894706 0.85 LSS (0.46) LSSCYP3A4CYP2C9CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL6888286 0.85 THRB (0.43) LSSCYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL6891060 0.85 LSS (0.43) LSSCYP3A4CYP2C9CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL6893869 0.84 LSS (0.45) LSSCYP3A4CYP2C9CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL6893656 0.84 LSS (0.43) LSSCYP3A4CYP2C9CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6680312-B2 FOR THERAPY OF CARDIAC INFARCTION, CEREBRAL THROMBOSIS; INHIBIT ACTIVATED COAGULATION FACTOR X (FXA) TO SHOW ANTI-COAGULANT ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-01-20 US disclosed
US-20020193382-A1 Sulfonamide derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2002-12-19 US disclosed
US-6403595-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-11 US disclosed
EP-1054005-A1 SULFONAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-11-22 EP 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-20020193382-A1 Sulfonamide derivatives, their production and use F12, F11, F2 LSS 1250/4885CYP3A4 168/4885CYP2C9 67/4885

“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.