SCHEMBL5127944

SCHEMBL5127944

Cc1cc(OC(C)(C)C)ccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRB P28702 2/20 0.49
RXRA P19793 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NR1H4 Q96RI1 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 3/20 0.39
AKR1C3 P42330 4/20 0.38
AKR1C2 P52895 4/20 0.38
POLB P06746 1/20 0.38
PRSS12 P56730 1/20 0.38

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
SCHEMBL28370258 0.86 POLB (0.43) RXRBALDH1A1NR1H4KDM4ETDP1
SCHEMBL966871 0.84 RXRB (0.50) RXRBRXRAHTTALDH1A1AKR1C2
SCHEMBL14786372 0.83 ELANE (0.40) RXRAHTT
SCHEMBL12951604 0.82 SRD5A2 (0.52) HTTALDH1A1KDM4EPOLB
SCHEMBL7623240 0.81 POLB (0.54) RXRBRXRAHTTALDH1A1NR1H4
SCHEMBL2592316 0.81 RARB (0.45) RXRAALDH1A1NR1H4KDM4E
SCHEMBL634335 0.79 HTT (0.65) HTTALDH1A1KDM4EAKR1C3AKR1C2
SCHEMBL2588369 0.79 ALDH1A1 (0.56) HTTALDH1A1KDM4ETDP1AKR1C3
SCHEMBL3301071 0.79 ALDH1A1 (0.51) RXRBRXRAHTTALDH1A1KDM4E
SCHEMBL3950221 0.79 CSNK2A1 (0.52) HTTALDH1A1KDM4ETDP1POLB

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-20080070946-A1 Hydroxymethylbenzothiazoles Amides ASTRAZENECA AB (SE) 2008-03-20 US claimed
EP-1799661-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES AstraZeneca AB (SE) 2007-06-27 EP claimed
WO-2006038871-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES ASTRAZENECA AB (SE) 2006-04-13 WO claimed
US-9527830-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
EP-2755656-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-07 EP disclosed
US-20140235628-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-08-21 US disclosed
EP-2755656-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-07-23 EP disclosed
WO-2013039802-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-03-21 WO disclosed
US-20080070946-A1 Hydroxymethylbenzothiazoles Amides ASTRAZENECA AB (SE) 2008-03-20 US disclosed
EP-1799661-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES AstraZeneca AB (SE) 2007-06-27 EP disclosed
WO-2006038871-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES ASTRAZENECA AB (SE) 2006-04-13 WO disclosed
US-RE30812-E ANTIARRHTHMIA AGENTS MEAD JOHNSON & COMPANY (US) 1981-12-01 US disclosed
US-RE30811-E SEROTONIN ANTAGONISTS, ANTIARRHYTHMIA AGENTS MEAD JOHNSON & COMPANY (US) 1981-12-01 US disclosed
US-4064254-A ANTIARRHYTHMIC AND ANTISEROTONINE AGENTS MEAD JOHNSON & COMPANY (US) 1977-12-20 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-20080070946-A1 Hydroxymethylbenzothiazoles Amides TPMT, SDHA, SDHB RXRB 1657/4885RXRA 2170/4885HTT 23/4885
US-20140235628-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 RXRB 4036/4885RXRA 4173/4885HTT 3484/4885

“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.