SCHEMBL1823366

SCHEMBL1823366

CCC(C)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
CASP1 P29466 1/20 0.40
HSP90AA1 P07900 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL1823354 0.86 KDM4E (0.40) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL11915785 0.84 ALDH1A1 (0.54) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL7771912 0.84 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL8501244 0.83 CYP17A1 (0.44) ALDH1A1TSHRGAAMMP1MMP2
SCHEMBL6061589 0.83 MMP2 (0.41) ALDH1A1GAAMMP1MMP2MMP7
SCHEMBL1824420 0.81 HDAC4 (0.49) ALDH1A1TSHRKDM4E
SCHEMBL15299109 0.81 ALDH1A1 (0.47) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL7771914 0.81 ALDH1A1 (0.47) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL3511754 0.80 CA2 (0.50) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL15165583 0.80 ESR1 (0.43) ALDH1A1TSHRGAAMMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11529347-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
US-20200392161-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF SCHRÖDINGER, INC. 2020-12-17 US disclosed
US-20190307745-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2019-10-10 US disclosed
EP-2161254-B1 Intermediate for preparing a biaryl compound SUMITOMO CHEMICAL CO (JP) 2014-08-13 EP disclosed
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
EP-2161254-A1 Intermediate for preparing a biaryl compound Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP disclosed
US-20070270603-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-7271280-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-18 US disclosed
EP-1481967-A1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed
US-20040158093-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-12 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 (5 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-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 ALDH1A1 1099/4885TSHR 1200/4885MEN1 421/4885
US-20190307745-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN21, PTPN5, PTPN1 ALDH1A1 4270/4885TSHR 1116/4885MEN1 394/4885
US-11529347-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPN21, PTPN22, PTPN5 ALDH1A1 4124/4885TSHR 1123/4885MEN1 379/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885TSHR 2860/4885MEN1 183/4885
US-20200392161-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPRJ, PTPRC ALDH1A1 3858/4885TSHR 2929/4885MEN1 4190/4885

“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.