SCHEMBL4338628

SCHEMBL4338628

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
BTN3A1 O00481 1/20 0.47
SRC P12931 1/20 0.46
CETP P11597 3/20 0.45
PDPK1 O15530 2/20 0.45
MTOR P42345 1/20 0.45
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
ALPG P10696 1/20 0.41
PTK2B Q14289 1/20 0.41
FOLH1 Q04609 1/20 0.40
P2RY2 P41231 1/20 0.39
P2RY4 P51582 1/20 0.39
P2RY6 Q15077 1/20 0.39
AKR1C3 P42330 1/20 0.38
ELANE P08246 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL10408383 0.90 TSHR (0.66) TSHRBTN3A1SRCCETPPDPK1
SCHEMBL6749263 0.88 TSHR (0.75) TSHRBTN3A1SRCCETPPDPK1
SCHEMBL28555680 0.86 TSHR (0.61) TSHRBTN3A1SRCCETPPDPK1
SCHEMBL1110552 0.86 TSHR (0.78) TSHRBTN3A1SRCCETPPDPK1
SCHEMBL4345271 0.83 TSHR (0.43) TSHRBTN3A1SRCCETPPDPK1
SCHEMBL8933666 0.82 TSHR (0.84) TSHRBTN3A1SRCCETPPDPK1
SCHEMBL79996 0.82 TSHR (0.63) TSHRSRCCETPPDPK1MTOR
SCHEMBL5459500 0.80 TSHR (0.53) TSHRBTN3A1SRCCETPPDPK1
SCHEMBL51316 0.78 TSHR (1.00) TSHRSRCCETPPDPK1MTOR
SCHEMBL27908642 0.78 TSHR (1.00) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114736240-A Phosphorus prodrugs of sGC stimulators 赛克里翁治疗有限公司 2022-07-12 CN disclosed
CN-109476686-A PHOSPHORUS PRODRUGS OF SGC STIMULATORS 铁木医药有限公司 2019-03-15 CN disclosed
US-20140171394-A1 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS UNIVERSITE DE STRASBOURG (FR) 2014-06-19 US disclosed
US-20130190524-A1 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS UNIVERSITE DE STRASBOURG (FR) 2013-07-25 US disclosed
EP-2111226-A2 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS Normoxys, Inc. (US) 2009-10-28 EP disclosed
US-20080200437-A1 Polyphosphorylated inositol derivatives; allosteric effectors, cell signaling molecule analogs; hypoxia related diseases UNIVERSITE DE STRASBOURG (FR) 2008-08-21 US disclosed
WO-2008082658-A2 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS NORMOXYS, INC. (US) 2008-07-10 WO 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 (3 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-20080200437-A1 Polyphosphorylated inositol derivatives; allosteric effectors, cell signaling molecule analogs; hypoxia related diseases PPIP5K2, IP6K1, IP6K3 TSHR 2294/4885BTN3A1 4472/4885SRC 3187/4885
US-20130190524-A1 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS PPIP5K2, ITPA, IPMK TSHR 1898/4885BTN3A1 3899/4885SRC 2048/4885
US-20140171394-A1 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS PPIP5K2, ITPA, IPMK TSHR 1898/4885BTN3A1 3899/4885SRC 2048/4885

“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.