SCHEMBL6896870

SCHEMBL6896870

COC(=O)C1(C#N)CCN(C(C)=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.37
TSHR P16473 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.36
CYP2D6 P10635 4/20 0.36
TDP1 Q9NUW8 1/20 0.35
EPHX2 P34913 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL16887689 0.82 CYP2C9 (0.40) CYP1A2TSHRMEN1KMT2ACYP2C9
SCHEMBL3552682 0.81
SCHEMBL16335810 0.81 ALDH1A1 (0.41) CYP2C9CYP2D6USP2ALDH1A1MAPK1
SCHEMBL5751932 0.80 USP2 (0.44) TSHRMEN1KMT2AEPHX2USP2
SCHEMBL100849 0.77 NPSR1 (0.45) MEN1KMT2AALDH1A1KDM4ECYP3A4
SCHEMBL5551911 0.77 NPSR1 (0.41) MEN1KMT2AALDH1A1KDM4ECYP3A4
SCHEMBL16886285 0.76 CYP2C9 (0.40) CYP1A2TSHRMEN1KMT2ACYP2C9
SCHEMBL12578569 0.76 USP2 (0.37) KMT2AUSP2CYP2C19CYP3A4
SCHEMBL16887589 0.76 CYP2C9 (0.40) CYP1A2TSHRMEN1KMT2ACYP2C9
SCHEMBL14859472 0.76 NPSR1 (0.44) MEN1KMT2AALDH1A1CYP3A4

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 CYP1A2 201/4885TSHR 1541/4885MEN1 473/4885

“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.