SCHEMBL12376593

SCHEMBL12376593

CC(C)(C)c1ccc(C(=O)NC(CO)CO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.56
▸ NR1H4 Q96RI1 4/20 0.54
▸ EPHX2 P34913 5/20 0.51
▸ RAB9A P51151 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ HTT P42858 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ ALPL P05186 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ HDAC3 O15379 3/20 0.47

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
SCHEMBL20878559 0.83 TAS1R3 (0.69) HDAC1NR1H4HDAC3HDAC8HDAC6
SCHEMBL178377 0.81 MEN1 (0.59) HDAC1RAB9AMAPTNPC1POLB
SCHEMBL12377330 0.79 NR1H4 (0.63) HDAC1NR1H4RAB9AMAPTNPC1
SCHEMBL27822274 0.79 BLM (0.55) MAPTPOLBHTTL3MBTL1GAA
SCHEMBL13605108 0.79 TAS1R3 (0.49) HDAC1NR1H4EPHX2RAB9AMAPT
SCHEMBL12920003 0.79 HTT (0.53) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL14459750 0.79 TAS1R3 (0.73) NPC1POLBHTTL3MBTL1GAA
SCHEMBL970081 0.78 MMP2 (0.58) HDAC1MAPTPOLBHTTL3MBTL1
SCHEMBL14117674 0.78 NPC1 (0.51) EPHX2RAB9AMAPTNPC1POLB
SCHEMBL28453111 0.78 HTT (0.47) HTTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 — — US disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 — — US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 — — US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 — — 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC HDAC1 1968/4885NR1H4 329/4885EPHX2 2830/4885

“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.

Send feedback