SCHEMBL457531

SCHEMBL457531

COc1ccc(C(=O)O)cc1OCc1c(C)cccc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA7 P43166 1/20 0.59
TPMT P51580 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
HTT P42858 1/20 0.57
MRGPRX4 Q96LA9 5/20 0.56
TSHR P16473 1/20 0.55
RXRA P19793 2/20 0.52
SMPD1 P17405 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
SLC22A12 Q96S37 1/20 0.51
TTR P02766 1/20 0.50
RXRB P28702 1/20 0.49

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
SCHEMBL31215352 1.00 CA12 (0.59) CA12CA1CA2CA4CA6
SCHEMBL12494360 0.89 SMPD1 (0.50) CA12CA1CA2CA4CA6
SCHEMBL12493963 0.89 ALDH1A1 (0.51) SMPD1HDAC1HDAC8HDAC6SLC22A12
SCHEMBL459394 0.87 SLC22A12 (0.66) HTTMRGPRX4RXRASLC22A12RXRB
SCHEMBL31215377 0.87 SLC22A12 (0.66) HTTMRGPRX4RXRASLC22A12RXRB
SCHEMBL460237 0.85 HSD17B2 (0.57) TSHRSMPD1HDAC1HDAC8HDAC6
SCHEMBL2088933 0.83 KMT2A (0.53) HTTTSHRSLC22A12
SCHEMBL458511 0.83 SLC22A12 (0.51) HTTMRGPRX4RXRASLC22A12RXRB
SCHEMBL31215374 0.83 MRGPRX4 (0.55) MRGPRX4RXRASLC22A12TTRRXRB
SCHEMBL459191 0.83 MRGPRX4 (0.55) MRGPRX4RXRASLC22A12TTRRXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10085957-B2 Benzoic acid compounds for reducing uric acid WELLSTAT THERAPEUTICS CORPORATION (US) 2018-10-02 US claimed
US-20170042844-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID PHARMA CINQ, LLC 2017-02-16 US claimed
US-20130331452-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID WELLSTAT THERAPEUTICS CORPORATION (US) 2013-12-12 US claimed
WO-2012033720-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID WELLSTAT THERAPEUTICS CORPORATION (US) 2012-03-15 WO claimed
US-10085957-B2 Benzoic acid compounds for reducing uric acid WELLSTAT THERAPEUTICS CORPORATION (US) 2018-10-02 US disclosed
US-20170042844-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID PHARMA CINQ, LLC 2017-02-16 US disclosed
US-20170042844-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID PHARMA CINQ, LLC 2017-02-16 US disclosed
US-20130331452-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID WELLSTAT THERAPEUTICS CORPORATION (US) 2013-12-12 US disclosed
WO-2012033720-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID WELLSTAT THERAPEUTICS CORPORATION (US) 2012-03-15 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-10085957-B2 Benzoic acid compounds for reducing uric acid FPR1, FFAR1, GLS CA12 3091/4885CA1 591/4885CA2 369/4885
US-20130331452-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID GLS, NLRP3, XDH CA12 3875/4885CA1 871/4885CA2 664/4885
US-20170042844-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID FPR1, FFAR1, GLS CA12 3091/4885CA1 591/4885CA2 369/4885

“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.