SCHEMBL10039554

SCHEMBL10039554

Cc1ccc(NC(=O)CC(=O)O)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.68
ALDH1A1 P00352 5/20 0.67
MAPK1 P28482 2/20 0.67
LMNA P02545 1/20 0.67
TSHR P16473 1/20 0.67
POLB P06746 3/20 0.63
KMT2A Q03164 3/20 0.62
MAPT P10636 3/20 0.62
MEN1 O00255 2/20 0.62
ALOX15 P16050 1/20 0.62
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
RAB9A P51151 2/20 0.58
RECQL P46063 1/20 0.58
CYP3A4 P08684 2/20 0.57
CYP1A2 P05177 1/20 0.57
NPC1 O15118 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
ATM Q13315 1/20 0.55

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
SCHEMBL12531500 0.87 HPGD (0.68) HPGDALDH1A1MAPK1LMNATSHR
SCHEMBL12796807 0.85 CYP3A4 (0.75) HPGDALDH1A1MAPK1LMNATSHR
SCHEMBL4006392 0.85 HPGD (0.69) HPGDALDH1A1MAPK1LMNATSHR
SCHEMBL7098921 0.84 CYP3A4 (0.69) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL1083471 0.84 SMN1; SMN2 (0.65) HPGDALDH1A1MAPK1LMNATSHR
SCHEMBL6409978 0.84 HPGD (0.64) HPGDALDH1A1MAPK1LMNATSHR
SCHEMBL19153394 0.83 HPGD (0.68) HPGDALDH1A1MAPK1LMNATSHR
Hydrochloric Acid SCHEMBL11158946 0.82 SMN1; SMN2 (0.63) HPGDALDH1A1MAPK1LMNATSHR
Fluoride SCHEMBL11790867 0.82 SMN1; SMN2 (0.63) HPGDALDH1A1MAPK1LMNATSHR
SCHEMBL3281841 0.82 HPGD (0.66) HPGDALDH1A1MAPK1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130129625-A1 IN VIVO IMAGING AGENTS HAMMERSMITH IMANET LIMITED (GB) 2013-05-23 US disclosed
US-20130129626-A1 IN VIVO IMAGING AGENTS HAMMERSMITH IMANET LIMITED (GB) 2013-05-23 US disclosed
US-20130129626-A1 IN VIVO IMAGING AGENTS HAMMERSMITH IMANET LIMITED (GB) 2013-05-23 US disclosed
US-20130129625-A1 IN VIVO IMAGING AGENTS HAMMERSMITH IMANET LIMITED (GB) 2013-05-23 US disclosed
EP-2125038-B1 RADIOACTIVE PET AGENTS FOR IMAGING CCR5 IN VIVO GE HEALTHCARE LTD (GB) 2012-05-02 EP disclosed
US-20110129419-A1 IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2011-06-02 US disclosed
US-20110129419-A1 IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2011-06-02 US disclosed
WO-2008075040-A2 IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2008-06-26 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 (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-20110129419-A1 IN VIVO IMAGING AGENTS CCR5, CCR2, CX3CR1 HPGD 1123/4885ALDH1A1 2886/4885MAPK1 2425/4885
US-20130129625-A1 IN VIVO IMAGING AGENTS CCR5, CCR2, CX3CR1 HPGD 1123/4885ALDH1A1 2886/4885MAPK1 2425/4885
US-20130129626-A1 IN VIVO IMAGING AGENTS CCR5, CCR2, CX3CR1 HPGD 1123/4885ALDH1A1 2886/4885MAPK1 2425/4885

“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.