SCHEMBL18599007

SCHEMBL18599007

CCCCc1ccsc1C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.41
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GPR35 Q9HC97 1/20 0.39
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
ERAP1 Q9NZ08 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
LTB4R Q15722 5/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC3 O15379 1/20 0.36
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36

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
SCHEMBL12948208 0.89 PRKCI (0.43) ALDH1A1GAACYP1A2CYP2C9CYP2C19
SCHEMBL27675976 0.86 GPR35 (0.49) ALDH1A1GPR35LTB4RHPGDHSD17B10
SCHEMBL4045273 0.84 PKM (0.41) TYRALDH1A1GAACYP1A2CYP2C9
SCHEMBL14614093 0.83 MAPK8 (0.42) ALDH1A1GAACYP1A2CYP2C9CYP2C19
SCHEMBL28763196 0.81 KMT2A (0.54) ALDH1A1GAACYP1A2MAPK8MAPK10
SCHEMBL30544 0.81 GPR35 (0.55) ALDH1A1GPR35LTB4RCYSLTR2CYSLTR1
SCHEMBL8516407 0.79 GPR35 (0.57) GPR35LTB4RCYSLTR2CYSLTR1
SCHEMBL7474906 0.79 GPR35 (0.57) GPR35LTB4RCYSLTR2CYSLTR1
SCHEMBL15286375 0.79 GPR35 (0.43) ALDH1A1GPR35LTB4RCYSLTR2CYSLTR1
SCHEMBL15286612 0.79 GPR35 (0.43) ALDH1A1GPR35LTB4RCYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192866-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-12-07 US disclosed
EP-3138831-B1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2020-07-08 EP disclosed
US-10669244-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-02 US disclosed
US-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-11-14 US disclosed
US-9884830-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-02-06 US disclosed
EP-3138831-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF President and Fellows of Harvard College (US) 2017-03-08 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 (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-11192866-B2 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC TYR 577/4885ALDH1A1 4455/4885GAA 570/4885
US-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC TYR 577/4885ALDH1A1 4455/4885GAA 570/4885
US-10669244-B2 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC TYR 577/4885ALDH1A1 4455/4885GAA 570/4885

“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.