SCHEMBL2904091

SCHEMBL2904091

Cc1cc(O[C@H](C)C(=O)O)ccc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.72
MCL1 Q07820 1/20 0.57
TSHR P16473 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55
PKM P14618 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.53
GAA P10253 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
TP53 P04637 3/20 0.50
MAPT P10636 2/20 0.50
THRB P10828 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46

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
SCHEMBL14122035 1.00 TDP1 (0.72) TDP1MCL1TSHRHTR2AHTR2C
Hydrazine SCHEMBL6761208 0.97 TDP1 (0.68) TDP1MCL1TSHRHTR2AHTR2C
SCHEMBL11187758 0.92 TDP1 (0.62) TDP1MCL1TSHRHTR2AHTR2C
SCHEMBL27801046 0.86 KMT2A (0.54) TDP1MCL1PKMKMT2AMEN1
SCHEMBL14122188 0.86 TDP1 (0.72) TDP1MCL1TSHRHTR2AHTR2C
SCHEMBL30958359 0.86 TDP1 (0.61) TDP1TSHRHTR2AHTR2CHTR2B
SCHEMBL30660773 0.86 TDP1 (0.61) TDP1TSHRHTR2AHTR2CHTR2B
SCHEMBL119603 0.86 TDP1 (0.61) TDP1TSHRHTR2AHTR2CHTR2B
SCHEMBL2400597 0.86 TDP1 (0.61) TDP1TSHRHTR2AHTR2CHTR2B
SCHEMBL9818746 0.86 TDP1 (0.61) TDP1TSHRHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537078-B1 INDOLES HAVING ANTI-DIABETIC ACTIVITY MERCK SHARP & DOHME (US) 2010-04-14 EP disclosed
US-7345085-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2008-03-18 US disclosed
US-20070161689-A1 Indoles having anti-diabetic activity MERCK SHARP & DOHME LLC 2007-07-12 US disclosed
US-7186746-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-20050277685-A1 Indoles having anti-diabetic activity MERCK SHARP & DOHME LLC 2005-12-15 US disclosed
EP-1537078-A1 INDOLES HAVING ANTI-DIABETIC ACTIVITY Merck & Co., Inc. (US) 2005-06-08 EP disclosed
WO-2004020409-A1 INDOLES HAVING ANTI-DIABETIC ACTIVITY MERCK & CO., INC. (US) 2004-03-11 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 (2 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-20050277685-A1 Indoles having anti-diabetic activity GPR119, PPARA, PPARG TDP1 2563/4885MCL1 2758/4885TSHR 258/4885
US-20070161689-A1 Indoles having anti-diabetic activity GPR119, PPARA, PPARG TDP1 2563/4885MCL1 2758/4885TSHR 258/4885

“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.