SCHEMBL2887503

SCHEMBL2887503

c1ccc(Cc2ccccc2SOSc2ccccc2Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.44
HTR2A P28223 1/20 0.44
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
ALOX5 P09917 1/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.39
KEAP1 Q14145 1/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HRH1 P35367 3/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL946829 0.80 APOBEC3G (0.54) CALM1HTR2ABCL2BCL2L1ALOX5
SCHEMBL352618 0.80 CALM1 (0.50) CALM1HTR2ABCL2BCL2L1ALOX5
SCHEMBL8080553 0.77 CALM1 (0.46) CALM1HTR2ABCL2BCL2L1ALOX5
SCHEMBL28840360 0.77 L3MBTL1 (0.47) CALM1HTR2ABCL2BCL2L1POLB
SCHEMBL1866871 0.75 CHRNA7 (0.51) CALM1HTR2ABCL2BCL2L1HPGD
SCHEMBL7247417 0.74 ACHE (0.42) HPGDL3MBTL1TP53MAPT
SCHEMBL27957718 0.74 APOBEC3G (0.64) TSHRHIF1A
SCHEMBL27907182 0.74 SLC6A2 (0.43) SMN1; SMN2POLB
SCHEMBL972711 0.74 CALM1 (0.69) CALM1HTR2ABCL2BCL2L1ALOX5
SCHEMBL24612455 0.73 HTR2A (0.42) CALM1HTR2ABCL2BCL2L1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110256307-A A method of synthesis sulfoxide compound 南京雷正医药科技有限公司 2019-09-20 CN disclosed
US-7683218-B2 Method for producing thioether compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-23 US disclosed
US-20080108823-A1 Method For Producing Thioether Compound MSD K.K. (JP) 2008-05-08 US disclosed
EP-1806337-A1 METHOD FOR PRODUCING THIOETHER COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-07-11 EP disclosed
EP-0634401-B1 MDR reversal agents AMERICAN CYANAMID CO (US) 1997-08-13 EP disclosed
US-5639887-A MULTIDRUG RESISTANT CELLS; INCREASE CELL SENSITIVITY TO ANTICANCER AGENTS AMERICAN CYANAMID COMPANY (US) 1997-06-17 US disclosed
US-5561141-A POTENTIATE ACTIVITY OF ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY (US) 1996-10-01 US disclosed
US-5550149-A SULFUR-CONTAINING COMPOUNDS THAT ARE EFFECTIVE IN POTENTIATING THE ACTIVITY OF CHEMOTHERAPEUTIC ANTI-CANCER AGENTS BY INCREASING SENSITIVITY OF MULTI-DRUG RESISTANT CELLS AMERICAN CYANAMID COMPANY (US) 1996-08-27 US disclosed
US-5387685-A MDR reversal agents AMERICAN CYANAMID COMPANY 1995-02-07 US disclosed
EP-0634401-A1 MDR reversal agents AMERICAN CYANAMID COMPANY (US) 1995-01-18 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 (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-20080108823-A1 Method For Producing Thioether Compound TST, MPST, PPIP5K2 CALM1 4825/4885HTR2A 3222/4885BCL2 3267/4885

“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.