SCHEMBL19840432

SCHEMBL19840432

Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 2/20 0.52
▸ HSPD1 P10809 2/20 0.50
▸ HSPE1 P61604 2/20 0.50
▸ FBP1 P09467 2/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ MC5R P33032 1/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ CCR2 P41597 1/20 0.49

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
SCHEMBL30895880 1.00 CTSD (0.52) CTSDHSPD1HSPE1FBP1ALOX15
SCHEMBL19840133 0.83 MAPT (0.53) CTSDHSPD1HSPE1FBP1ALOX15
SCHEMBL12584929 0.82 PDE7A (0.45) ALDH1A1MAPTKMT2ATSHRITGB2
SCHEMBL24438715 0.80 CTSD (0.60) CTSDHSPD1HSPE1FBP1ALOX15
SCHEMBL2032205 0.80 PPARA (0.46) CTSDHSPD1HSPE1HSD17B10ALDH1A1
SCHEMBL2031038 0.80 APP (0.52) CTSDALDH1A1MAPTKMT2ANPC1
SCHEMBL2035992 0.80 ILK (0.42) CTSDHSPD1HSPE1TDP1ALDH1A1
Hydrochloric Acid SCHEMBL10787996 0.79 CTSD (0.51) CTSDFBP1ALOX15HSD17B10TDP1
SCHEMBL24118868 0.78 KMT2A (0.57) CTSDHSPD1HSPE1TDP1ALDH1A1
SCHEMBL8563621 0.76 FBP1 (0.58) CTSDHSPD1HSPE1FBP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395210-A1 INHIBITION OF BACTERIAL CHAPERONIN SYSTEMS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2021-12-23 — — US disclosed
US-9884046-B1 Method of treating lung cancer MACAU UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2018-02-06 — — 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 (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-20210395210-A1 INHIBITION OF BACTERIAL CHAPERONIN SYSTEMS HSP90B1, HSP90AB1, HSP90AB2P CTSD 2326/4885HSPD1 21/4885HSPE1 9/4885

“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.

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