SCHEMBL6889856

SCHEMBL6889856

CCOC(=O)Oc1cc(C)ccc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
TDP1 Q9NUW8 2/20 0.48
GAA P10253 1/20 0.48
CYP2C9 P11712 3/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
NLRP3 Q96P20 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 1/20 0.45
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
TTR P02766 1/20 0.44
CYP2C8 P10632 1/20 0.44
CHRM1 P11229 1/20 0.44
ADRA1A P35348 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
SCHEMBL14363150 0.87 CYP1A2 (0.46) TSHRSMN1; SMN2GAACYP2C9NLRP3
SCHEMBL10931521 0.87 TSHR (0.53) TSHRSMN1; SMN2TDP1GAACYP2C9
SCHEMBL1598817 0.86 SMN1; SMN2 (0.51) SMN1; SMN2GAACYP2C9HTTLMNA
SCHEMBL10344224 0.84 KMT2A (0.54) TDP1GAALMNAMAPTMEN1
SCHEMBL18130855 0.83 ACHE (0.55) TSHRSMN1; SMN2CYP2C9HTTLMNA
SCHEMBL28274919 0.83 CYP1A2 (0.46) TSHRSMN1; SMN2GAALMNACYP1A2
SCHEMBL29852164 0.83 ACHE (0.55) TSHRSMN1; SMN2CYP2C9HTTLMNA
SCHEMBL12196098 0.82 SOAT1 (0.41) TSHRSMN1; SMN2TDP1GAACYP2C9
SCHEMBL21991471 0.81 SMN1; SMN2 (0.51) TSHRSMN1; SMN2TDP1GAACYP2C9
Bicarbonate SCHEMBL28469716 0.80 ACHE (0.52) TSHRSMN1; SMN2TDP1CYP2C9HTT

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
US-20220409566-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-12-29 US disclosed
US-20220142961-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-05-12 US disclosed
US-11318111-B2 CCL5 inhibitors LAPKO INC (US) 2022-05-03 US disclosed
US-20210196665-A1 CCL5 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-07-01 US disclosed
US-10940132-B2 CCL5 inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-20200138766-A1 CCL5 INHIBITORS LAPKO INC. DBA AFECTA PHARMACEUTICALS 2020-05-07 US 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 (7 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-20220142961-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TSHR 3214/4885SMN1; SMN2 3122/4885TDP1 1445/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 TSHR 3214/4885SMN1; SMN2 3122/4885TDP1 1445/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TSHR 3214/4885SMN1; SMN2 3122/4885TDP1 1445/4885
US-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 TSHR 4209/4885SMN1; SMN2 2954/4885TDP1 3544/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TSHR 3214/4885SMN1; SMN2 3122/4885TDP1 1445/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TSHR 3214/4885SMN1; SMN2 3122/4885TDP1 1445/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TSHR 3214/4885SMN1; SMN2 3122/4885TDP1 1445/4885

“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.