SCHEMBL2116817

SCHEMBL2116817

CCO[C](OCC)c1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
DHODH Q02127 1/20 0.42
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ELANE P08246 1/20 0.41
MAOA P21397 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
SCHEMBL8266769 0.78 TSHR (0.50) TSHRALDH1A1MEN1KMT2AGAA
SCHEMBL29535471 0.78 TSHR (0.80) TSHRALDH1A1MEN1KMT2AGAA
SCHEMBL6553295 0.78 TSHR (0.50) TSHRALDH1A1MEN1KMT2AGAA
SCHEMBL10290849 0.78 TSHR (0.50) TSHRALDH1A1MEN1KMT2AGAA
SCHEMBL28811680 0.78 TSHR (0.50) TSHRALDH1A1MEN1KMT2ARAB9A
SCHEMBL2120321 0.78 TSHR (0.55) TSHRALDH1A1MEN1KMT2ANPC1
SCHEMBL1569293 0.78 TSHR (0.80) TSHRALDH1A1MEN1KMT2AGAA
SCHEMBL2118533 0.77 MAPT (0.50) TSHRALDH1A1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL3127844 0.77 TSHR (0.48) TSHRALDH1A1MEN1KMT2AGAA
SCHEMBL973270 0.77 HCRTR1 (0.54) TSHRALDH1A1MEN1KMT2AGAA

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 639/4885MEN1 3550/4885

“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.