SCHEMBL21775799

SCHEMBL21775799

CN(C)c1cccc(C(=O)O)c1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.49
ALDH1A1 P00352 3/20 0.46
LTB4R Q15722 2/20 0.46
LTB4R2 Q9NPC1 2/20 0.46
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
HPGD P15428 2/20 0.43
ALOX5 P09917 1/20 0.43
LMNA P02545 1/20 0.43
NR4A2 P43354 2/20 0.43
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
ABCC1 P33527 1/20 0.43
FOLH1 Q04609 1/20 0.43
NOX1 Q9Y5S8 1/20 0.42

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
SCHEMBL16039152 0.87 LMNA (0.53) ALDH1A1GAATSHRHPGDLMNA
SCHEMBL15716510 0.84 ALDH1A1 (0.58) PTGER1ALDH1A1CTSVCTSLHPGD
SCHEMBL21775714 0.84 HTT (0.45) PTGER1ALDH1A1MAPTTP53GAA
SCHEMBL1396290 0.80 ALDH1A1 (0.57) PTGER1ALDH1A1SMN1; SMN2CTSVCTSL
SCHEMBL8980650 0.80 MAOB (0.54) PTGER1ALDH1A1MAPTSMN1; SMN2CTSV
SCHEMBL3424839 0.79 ALDH1A1 (0.55) PTGER1ALDH1A1MAPTSMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL18037169 0.79 ALDH1A1 (0.55) PTGER1ALDH1A1SMN1; SMN2CTSVCTSL
SCHEMBL1305739 0.78 PTGER1 (0.61) PTGER1ALDH1A1MAPTGAACTSV
SCHEMBL8673772 0.78 TDP1 (0.54) PTGER1ALDH1A1SMN1; SMN2CTSVCTSL
SCHEMBL8980558 0.78 PTGER1 (0.50) PTGER1ALDH1A1MAPTGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11692004-B2 Substituted pyrazole compound, preparation method therefor, pharmaceutical composition and medical use thereof JIANGSU VANGUARD PHARMACEUTICAL CO., LTD. (CN) 2023-07-04 US disclosed
US-11692004-B2 Substituted pyrazole compound, preparation method therefor, pharmaceutical composition and medical use thereof JIANGSU VANGUARD PHARMACEUTICAL CO., LTD. (CN) 2023-07-04 US disclosed
WO-2020038279-A1 SUBSTITUTED PYRAZOLE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 天津谷堆生物医药科技有限公司 2020-02-27 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 (1 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-11692004-B2 Substituted pyrazole compound, preparation method therefor, pharmaceutical composition and medical use thereof FARS2, GOT2, HADHB PTGER1 1231/4885ALDH1A1 2197/4885LTB4R 2569/4885

“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.