SCHEMBL8933666

SCHEMBL8933666

O=P(O)(OCc1ccccc1)OP(=O)(O)OCc1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.84
SRC P12931 1/20 0.57
CETP P11597 3/20 0.53
PDPK1 O15530 2/20 0.49
MTOR P42345 1/20 0.49
AKR1C3 P42330 1/20 0.49
ALPG P10696 1/20 0.49
PTK2B Q14289 1/20 0.49
FOLH1 Q04609 1/20 0.46
BTN3A1 O00481 1/20 0.46
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
LMNA P02545 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
SCHEMBL1110552 0.92 TSHR (0.78) TSHRSRCCETPPDPK1MTOR
SCHEMBL51316 0.91 TSHR (1.00) TSHRSRCCETPPDPK1MTOR
SCHEMBL27908642 0.91 TSHR (1.00) TSHRSRCCETPPDPK1MTOR
SCHEMBL6749263 0.90 TSHR (0.75) TSHRSRCCETPPDPK1MTOR
Hydrochloric Acid SCHEMBL10722992 0.89 TSHR (0.96) TSHRSRCCETPPDPK1MTOR
SCHEMBL9446520 0.89 TSHR (0.96) TSHRSRCCETPPDPK1MTOR
SCHEMBL11756554 0.89 TSHR (0.96) TSHRSRCCETPPDPK1MTOR
SCHEMBL4219700 0.89 TSHR (0.96) TSHRSRCCETPPDPK1MTOR
Ammonia Solution, Strong SCHEMBL7268743 0.89 TSHR (0.96) TSHRSRCCETPPDPK1MTOR
SCHEMBL28264490 0.89 TSHR (0.96) TSHRSRCCETPPDPK1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118164856-A Nucleoside triphosphate synthetic bulk drug and preparation method thereof 精华制药集团南通有限公司 2024-06-11 CN disclosed
EP-3183257-B1 DI- AND TRIPHOSPHATE PRODRUGS UNIV HAMBURG (DE) 2019-10-09 EP disclosed
WO-2019155639-A1 PRODUCTION METHOD AND PRODUCTION INTERMEDIATE FOR GUANOSINE-3',5'-BISDIPHOSPHATE 国立大学法人東京工業大学 2019-08-15 WO disclosed
WO-2019156240-A1 PRODUCTION METHOD AND PRODUCTION INTERMEDIATE FOR GUANOSINE-3',5'-BISDIPHOSPHATE 国立大学法人東京工業大学 2019-08-15 WO disclosed
US-10131685-B2 Di- and triphosphate prodrugs UNIVERSITAET HAMBURG (DE) 2018-11-20 US disclosed
US-20170275328-A1 DI- AND TRIPHOSPHATE PRODRUGS UNIVERSITAET HAMBURG (DE) 2017-09-28 US disclosed
EP-3183257-A1 DI- AND TRIPHOSPHATE PRODRUGS Universität Hamburg (DE) 2017-06-28 EP disclosed
WO-2016026493-A1 DI- AND TRIPHOSPHATE PRODRUGS UNIVERSITÄT HAMBURG (DE) 2016-02-25 WO disclosed
CN-101395158-A Pyrrolotriazine aniline prodrug compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-03-25 CN disclosed
WO-1996026948-A1 PHOSPHATE DERIVATIVES OF DISUBSTITUTED UREAS AND THIOUREAS PHARMACIA & UPJOHN S.P.A. (IT) 1996-09-06 WO disclosed
US-3943179-A Hydroxylation of aromatic compounds RHONE-POULENC TEXTILE (FR) 1976-03-09 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-10131685-B2 Di- and triphosphate prodrugs TYMP, PNP, DUT TSHR 3782/4885SRC 3174/4885CETP 1724/4885
US-20170275328-A1 DI- AND TRIPHOSPHATE PRODRUGS TYMP, PNP, DUT TSHR 3782/4885SRC 3174/4885CETP 1724/4885

“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.