SCHEMBL4134021

SCHEMBL4134021

COc1ccc(C(=O)O)cc1N(CCCl)CCCl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54
TPMT P51580 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
TSHR P16473 2/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.46
PKM P14618 2/20 0.46
TTR P02766 2/20 0.46
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL7466606 0.88 CA12 (0.54) CA12CA1CA2CA4CA6
SCHEMBL7614930 0.87 ALDH1A1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL23998040 0.81 TSHR (0.52) TSHRLMNARAB9AMRGPRX4TTR
Alkyrom SCHEMBL11412605 0.80 ALDH1A1 (0.52) TSHRMRGPRX4POLBALDH1A1MEN1
SCHEMBL16554589 0.78 CA12 (0.65) CA12CA1CA2CA4CA6
SCHEMBL7618833 0.77 HCAR3 (0.47) TSHRALDH1A1MEN1KMT2AHCAR3
SCHEMBL7466481 0.77 TSHR (0.40) CA12CA1CA2CA4CA6
SCHEMBL7470900 0.75 ALDH1A1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL7507805 0.75 RXRA (0.43) CA12CA1CA2CA4CA6
SCHEMBL8169400 0.74 TP53 (0.49) TSHRALDH1A1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090092553-A1 MONOCARBOXYLATE TRANSPORTERS EXPRESSED IN CANCER CELLS XENOPORT,INC. (US) 2009-04-09 US claimed
EP-1651963-A4 MONOCARBOXYLATE TRANSPORTERS EXPRESSED IN CANCER CELLS XENOPORT INC (US) 2007-03-21 EP claimed
EP-1651963-A2 MONOCARBOXYLATE TRANSPORTERS EXPRESSED IN CANCER CELLS Xenoport, Inc. (US) 2006-05-03 EP claimed
WO-2005098444-A2 MONOCARBOXYLATE TRANSPORTERS EXPRESSED IN CANCER CELLS XENOPORT, INC. (US) 2005-10-20 WO claimed
US-20050032135-A1 Monocarboxylate transporters expressed in cancer cells XENOPORT, INC. (US) 2005-02-10 US claimed
US-20090092553-A1 MONOCARBOXYLATE TRANSPORTERS EXPRESSED IN CANCER CELLS XENOPORT,INC. (US) 2009-04-09 US disclosed
US-20090092553-A1 MONOCARBOXYLATE TRANSPORTERS EXPRESSED IN CANCER CELLS XENOPORT,INC. (US) 2009-04-09 US disclosed
US-20090092553-A1 MONOCARBOXYLATE TRANSPORTERS EXPRESSED IN CANCER CELLS XENOPORT,INC. (US) 2009-04-09 US disclosed
EP-1651963-A4 MONOCARBOXYLATE TRANSPORTERS EXPRESSED IN CANCER CELLS XENOPORT INC (US) 2007-03-21 EP disclosed
EP-1651963-A2 MONOCARBOXYLATE TRANSPORTERS EXPRESSED IN CANCER CELLS Xenoport, Inc. (US) 2006-05-03 EP disclosed
WO-2005098444-A2 MONOCARBOXYLATE TRANSPORTERS EXPRESSED IN CANCER CELLS XENOPORT, INC. (US) 2005-10-20 WO disclosed
US-20050032135-A1 Monocarboxylate transporters expressed in cancer cells XENOPORT, INC. (US) 2005-02-10 US disclosed
US-6433199-B1 ANTITUMOR, ANTICANCER AGENTS SHIONOGI BIORESEARCH CORPORATION 2002-08-13 US disclosed
US-5969133-A Bioreductive cytotoxic agents SHIONGI BIORESEARCH CORP. (US) 1999-10-19 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-20050032135-A1 Monocarboxylate transporters expressed in cancer cells SLC16A1, SLC16A3, SLC16A8 CA12 211/4885CA1 245/4885CA2 251/4885

“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.