SCHEMBL21169267

SCHEMBL21169267

CC(C)(S)c1ccc(C(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
SRD5A2 P31213 2/20 0.48
ABCC9 O60706 1/20 0.47
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
KCNJ8 Q15842 1/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
ALPG P10696 1/20 0.43
MEN1 O00255 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL7716847 0.84 LTA4H (0.53) LTA4HSRD5A2ABCC9ABCC8KCNJ11
SCHEMBL18997444 0.84 SRD5A2 (0.68) LTA4HSRD5A2ABCC9ABCC8KCNJ11
SCHEMBL7358338 0.83 ACHE (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8007545 0.81 MAPT (0.52) SRD5A2CES2CES1NPC1RAB9A
SCHEMBL8005246 0.81 SRD5A2 (0.53) SRD5A2CES2CES1NPC1RAB9A
SCHEMBL8572071 0.78 LTA4H (0.73) LTA4HSRD5A2CES2CES1NPC1
SCHEMBL1736339 0.78 LTA4H (0.73) LTA4HSRD5A2CES2CES1NPC1
SCHEMBL238259 0.78 LTA4H (0.73) LTA4HSRD5A2CES2CES1NPC1
SCHEMBL19002400 0.78 LTA4H (0.47) LTA4HSRD5A2ABCC9ABCC8KCNJ11
SCHEMBL7940672 0.78 HPGD (0.51) LTA4HSRD5A2ABCC9ABCC8KCNJ11

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-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 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 (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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 LTA4H 759/4885SRD5A2 2581/4885ABCC9 3681/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 LTA4H 1104/4885SRD5A2 2985/4885ABCC9 3824/4885

“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.