SCHEMBL6504667

SCHEMBL6504667

Cc1cc(OC(C)C(=O)O)cc(C)c1S(=O)(=O)Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
TSHR P16473 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
APEX1 P27695 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL2276986 0.80 SMN1; SMN2 (0.61) TDP1CA12CA1CA2CA4
SCHEMBL14157450 0.80 TDP1 (0.66) TDP1TSHRHTR2AHTR2CHTR2B
SCHEMBL1927200 0.79 TDP1 (0.70) TDP1TSHRHTR2AHTR2CHTR2B
SCHEMBL1928212 0.76 TDP1 (0.66) TDP1TSHRHTR2AHTR2CHTR2B
SCHEMBL14157522 0.75 TDP1 (0.60) TDP1TSHRHTR2AHTR2CHTR2B
SCHEMBL8406823 0.74 TDP1 (1.00) TDP1TSHRHTR2AHTR2CHTR2B
SCHEMBL2904091 0.73 TDP1 (0.72) TDP1TSHRHTR2AHTR2CHTR2B
SCHEMBL14122035 0.73 TDP1 (0.72) TDP1TSHRHTR2AHTR2CHTR2B
SCHEMBL6507757 0.73 TDP1 (0.61) TDP1TSHRHTR2AHTR2CHTR2B
SCHEMBL11178023 0.73 TDP1 (0.57) TDP1TSHRHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005123737-A2 CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2005-12-29 WO disclosed
US-20050182101-A1 Prodrugs of proton pump inhibitors GARST MICHAEL (US) 2005-08-18 US disclosed
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention GARST MICHAEL (US) 2005-06-30 US disclosed
EP-0413839-A1 GHRH analogs The Administrators of The Tulane Educational Fund (US) 1991-02-27 EP disclosed
US-4914189-A STIMULATES RELEASE OF GROWTH HORMONE THE ADMINSTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1990-04-03 US disclosed
EP-0277626-A2 Synthetic GHRH analogs The Administrators of The Tulane Educational Fund (US) 1988-08-10 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 (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-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI TDP1 2288/4885TSHR 1929/4885HTR2A 1587/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI TDP1 2456/4885TSHR 2077/4885HTR2A 2023/4885

“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.