SCHEMBL3072732

SCHEMBL3072732

CC(=O)Nc1cc(CO)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HPGD P15428 1/20 0.52
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
LDLR P01130 1/20 0.43
POLB P06746 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
ADRB2 P07550 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
SCHEMBL5044897 0.87 CYP1A2 (0.43) ALDH1A1HPGDKMT2AMEN1LDLR
SCHEMBL6581850 0.86 ALDH1A1 (0.52) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL13190946 0.84 ALDH1A1 (0.50) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL13175172 0.82 POLB (0.54) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL14662750 0.81 MEN1 (0.50) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL7934011 0.81 GAA (0.44) ALDH1A1HPGDKMT2AMEN1POLB
SCHEMBL7216228 0.80 MEN1 (0.52) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL3406984 0.80 POLB (0.48) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2927023 0.79 KMT2A (0.46) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL13175289 0.79 MAPT (0.62) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO disclosed
US-6541467-B1 And at P1 have a six-membered heterocyclic ring having two ring nitrogen ring atoms and the remainder of the ring atoms carbon atoms. CORVAS INTERNATIONAL, INC. 2003-04-01 US disclosed
US-6506761-B1 Compound of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: CORVAS INTERNATIONAL, INC. 2003-01-14 US disclosed
US-6506760-B1 Compounds of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: CORVAS INTERNATIONAL, INC. 2003-01-14 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 (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-20090012055-A1 Organic compounds REN, ACE, ACE2 ALDH1A1 142/4885HPGD 423/4885NPC1 794/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 ALDH1A1 142/4885HPGD 423/4885NPC1 794/4885

“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.