SCHEMBL5833788

SCHEMBL5833788

Cc1ccccc1C(=O)OCI

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.57
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ADRB2 P07550 2/20 0.51
ADRB1 P08588 2/20 0.51
ADRB3 P13945 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 2/20 0.49
NPC1 O15118 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
GAA P10253 1/20 0.45
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL19337580 0.86 TSHR (0.54) TSHRMEN1KMT2AADRB2ADRB1
SCHEMBL29535471 0.84 TSHR (0.80) TSHRMEN1KMT2AADRB2ADRB1
SCHEMBL1569293 0.84 TSHR (0.80) TSHRMEN1KMT2AADRB2ADRB1
SCHEMBL17797782 0.84 TSHR (0.66) TSHRMEN1KMT2AADRB2ADRB1
SCHEMBL2637229 0.82 TSHR (0.59) TSHRMEN1KMT2AADRB2ADRB1
SCHEMBL7933514 0.82 TSHR (0.59) TSHRMEN1KMT2AADRB2ADRB1
SCHEMBL27501881 0.82 TSHR (0.77) TSHRMEN1KMT2AADRB2ADRB1
SCHEMBL9341422 0.81 TSHR (0.57) TSHRMEN1KMT2AADRB2ADRB1
SCHEMBL17681654 0.81 TSHR (0.57) TSHRMEN1KMT2AADRB2ADRB1
SCHEMBL4207450 0.81 TSHR (0.57) TSHRMEN1KMT2AADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107619392-A 1H-indazole-4-ether compounds and use thereof as IDO inhibitors 西华大学 2018-01-23 CN disclosed
CN-102424673-B Montelukast sodium intermediate and method for synthesizing montelukast sodium thereof ZHEJIANG HISUN PHARM CO LTD 2013-12-04 CN disclosed
CN-101638381-A Synthesis method of montelukast sodium intermediate LUNAN PHARM GROUP CORP 2010-02-03 CN disclosed
US-7101912-B2 Carbidopa prodrugs and derivatives, and compositions and uses thereof XENOPORT, INC. (US) 2006-09-05 US disclosed
US-20040167216-A1 Carbidopa prodrugs and derivatives, and compositions and uses thereof XIANG JIA-NING (US) 2004-08-26 US disclosed
WO-2004052841-A1 CARBIDOPA PRODRUGS AND USES THEREOF XENOPORT, INC. (US) 2004-06-24 WO disclosed
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 US disclosed
US-6458780-B1 IMIDAZO(5,1-B)THIAZOLE GROUP AT THE 2-POSITION ON THE CARBAPENEM RING HAVE HIGH ANTI-MICROBIAL ACTIVITIES AGAINST .BETA.-LACTAMASE PRODUCING BACTERIA, MRSA, RESISTANT-PSEUDOMONAS AERUGINOSA, PRSP, ENTEROCOCCI, AND MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-01 US disclosed
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 EP 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-20040167216-A1 Carbidopa prodrugs and derivatives, and compositions and uses thereof PDE3A, ADORA2A, CDA TSHR 1846/4885MEN1 2470/4885KMT2A 1867/4885
US-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 TSHR 4209/4885MEN1 2832/4885KMT2A 3040/4885

“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.