SCHEMBL4035784

SCHEMBL4035784

CSc1c[c]c(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.42
ALDH1A3 P47895 1/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GSK3B P49841 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
PTGS1 P23219 3/20 0.33
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
KDM1A O60341 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31

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
SCHEMBL7620195 0.81 PTGS1 (0.42) PTGS2GSK3BPTGS1ALDH1A1
SCHEMBL781962 0.72 LMNA (0.38) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL6191708 0.72 PTGS2 (0.38) PTGS2MEN1KMT2AGAARAB9A
SCHEMBL5790235 0.72 PTGS2 (0.42) PTGS2ALDH1A3MEN1KMT2ACYP1A2
SCHEMBL2958548 0.72 ALDH1A1 (0.45) CYP1A2CYP3A4GAAPTGS1ALDH1A1
SCHEMBL2448169 0.72 ALDH1A1 (0.45) CYP1A2CYP3A4GAAPTGS1ALDH1A1
SCHEMBL17283465 0.71 PTGS2 (0.63) PTGS2ALDH1A3MEN1KMT2ACYP1A2
SCHEMBL403028 0.71 PTGS2 (0.63) PTGS2ALDH1A3MEN1KMT2ACYP1A2
SCHEMBL5047733 0.70 ALDH1A1 (0.47) MEN1KMT2ACYP1A2CYP3A4NPC1
Hydrogen Sulfide SCHEMBL19086306 0.69 PTGS2 (0.61) PTGS2ALDH1A3MEN1KMT2ACYP1A2

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
EP-1492773-B1 4-(HETEROCYCLYL)-BENZENESULFOXIMINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION CADILA HEALTHCARE LTD (IN) 2009-02-04 EP disclosed
US-7348342-B2 Heterocyclic compounds process for their preparation and pharmaceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED (IN) 2008-03-25 US disclosed
US-20050277678-A1 Heterocyclic compounds process for their preparation and pharmceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED (IN) 2005-12-15 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-20050277678-A1 Heterocyclic compounds process for their preparation and pharmceutical compositions containing them and their use in medicine H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HPGDS, LTC4S PTGS2 27/4885ALDH1A3 3448/4885MEN1 3017/4885

“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.