SCHEMBL5513145

SCHEMBL5513145

Clc1cccc(OC[C@@H]2CO2)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
GLA P06280 1/20 0.57
TP53 P04637 4/20 0.51
TSHR P16473 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP3A4 P08684 2/20 0.51
HIF1A Q16665 2/20 0.51
TDP1 Q9NUW8 2/20 0.49
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
GRM2 Q14416 1/20 0.42
FAAH O00519 2/20 0.41
KDM4E B2RXH2 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39

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
SCHEMBL2335627 1.00 ALDH1A1 (0.57) ALDH1A1GLATP53TSHRSMN1; SMN2
SCHEMBL5524768 1.00 ALDH1A1 (0.57) ALDH1A1GLATP53TSHRSMN1; SMN2
SCHEMBL29847902 1.00 ALDH1A1 (0.57) ALDH1A1GLATP53TSHRSMN1; SMN2
SCHEMBL19612516 0.91 ALDH1A1 (0.62) ALDH1A1GLATP53TSHRSMN1; SMN2
SCHEMBL1109726 0.86 ALDH1A1 (0.66) ALDH1A1GLATP53TSHRSMN1; SMN2
SCHEMBL29425003 0.86 ALDH1A1 (0.66) ALDH1A1GLATP53TSHRSMN1; SMN2
SCHEMBL6488684 0.86 ALDH1A1 (0.66) ALDH1A1GLATP53TSHRSMN1; SMN2
SCHEMBL19612301 0.85 ALDH1A1 (0.56) ALDH1A1GLATP53TSHRSMN1; SMN2
SCHEMBL10893091 0.85 ALDH1A1 (0.70) ALDH1A1GLATP53TSHRSMN1; SMN2
SCHEMBL20678975 0.84 ALDH1A1 (0.50) ALDH1A1GLATP53TSHRSMN1; 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249702-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC 2007-10-25 US disclosed
US-7202261-B2 Calcilytic compounds NPS PHARMACEUTICALS, INC. (US) 2007-04-10 US disclosed
CN-1254465-C Calcilytic compounds NPS PHARMA INC (US) 2006-05-03 CN disclosed
EP-0901459-B1 CALCILYTIC COMPOUNDS NPS PHARMA INC (US) 2005-06-29 EP disclosed
US-20050032850-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2005-02-10 US disclosed
US-6818660-B2 FOR INHIBITING CALCIUM RECEPTOR ACTIVIT; TO STIMULATE SECRETION OF PARATHYROID HORMONE (PTH); FOR BONE FORMATION NPS PHARMACEUTICALS, INC. 2004-11-16 US disclosed
US-6521667-B1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2003-02-18 US disclosed
US-6432656-B1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2002-08-13 US disclosed
US-20020099220-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2002-07-25 US disclosed
US-6022894-A Method of using calcilytic compounds NPS PHARMACEUTICALS, INC. (US) 2000-02-08 US disclosed
CN-1221401-A Calcilytic compounds NPS PHARMA INC (US) 1999-06-30 CN disclosed
EP-0901459-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1999-03-17 EP disclosed
WO-1997037967-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1997-10-16 WO disclosed
US-5204463-A Substituted methoxyphenyl-4,5 dihydro-3(2H)-pridazinones having cardiotonic and beta blocking activities GLAXO INC. (US) 1993-04-20 US disclosed
US-5096904-A Congestive heart failure GLAXO INC. (US) 1992-03-17 US disclosed
US-5053338-A Hydrolysis of ester to obtain an optically enriched mixture of a phenol enantiomer GLAXO INC. (US) 1991-10-01 US disclosed
EP-0412814-A2 Pyridazinones having cardiotonic and beta blocking activity GLAXO WELLCOME INC. (US) 1991-02-13 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 (3 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-20050032850-A1 Calcilytic compounds CALCR, CASR, ORAI1 ALDH1A1 4327/4885GLA 285/4885TP53 4129/4885
US-20070249702-A1 CALCILYTIC COMPOUNDS CALCR, CASR, ORAI1 ALDH1A1 4327/4885GLA 285/4885TP53 4129/4885
US-20020099220-A1 Calcilytic compounds CALCR, CASR, CALCRL ALDH1A1 4285/4885GLA 329/4885TP53 4380/4885

“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.