SCHEMBL2118316

SCHEMBL2118316

[CH2]c1ccccc1C(C)COC

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 2/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
AGTR1 P30556 1/20 0.30

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
SCHEMBL2118347 0.81 TSHR (0.37) TSHRKMT2AL3MBTL1KDM4E
SCHEMBL27412041 0.78 CA1 (0.48) TSHRALDH1A1CYP1A2MEN1CYP3A4
SCHEMBL27411561 0.78 CA1 (0.48) TSHRALDH1A1CYP1A2MEN1CYP3A4
SCHEMBL391840 0.77 TSHR (0.59) TSHRL3MBTL1KDM4EGABRA1GABRB2
SCHEMBL26029124 0.76 ALDH1A1 (0.39) TSHRALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL22969912 0.76 ADRB2 (0.43) TSHRALDH1A1CYP1A2CYP3A4L3MBTL1
SCHEMBL820441 0.73 TSHR (0.41) TSHRGABRA1GABRB2SMN1; SMN2
SCHEMBL28762361 0.73 CD44 (0.38) TSHRALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4769774 0.72 GABRA1 (0.33) TSHRCYP1A2CYP3A4LMNAHPGD
SCHEMBL233609 0.71 GABRA1 (0.50) TSHRALDH1A1MAPTCYP1A2CYP3A4

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-8802895-B2 Amide derivatives of benzene-sulfonanilide, pharmaceutical composition thereof and method for cancer treatment using the same CLEVELAND STATE UNIVERSITY (US) 2014-08-12 US disclosed
EP-2629767-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME Cleveland State University (US) 2013-08-28 EP disclosed
WO-2012054417-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME CLEVELAND STATE UNIVERSITY (US) 2012-04-26 WO disclosed
US-20120095092-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME CLEVELAND STATE UNIVERSITY 2012-04-19 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-20120095092-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME RB1, BCR, NRAS TSHR 493/4885ALDH1A1 639/4885MAPT 4774/4885

“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.