SCHEMBL18962170

SCHEMBL18962170

O=P(O)(O)C(O)(CC1CCCCCC1)P(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 9/20 0.56
METAP1 P53582 1/20 0.46
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
CA9 Q16790 1/20 0.42
PDE3A Q14432 2/20 0.38
LMNA P02545 1/20 0.38
ADRB3 P13945 1/20 0.38
PDE4D Q08499 1/20 0.38
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
GGPS1 O95749 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL19193859 1.00 FDPS (0.56) FDPSMETAP1CA12CA1CA2
SCHEMBL19193926 1.00 FDPS (0.56) FDPSMETAP1CA12CA1CA2
SCHEMBL19193755 0.98 FDPS (0.58) FDPSMETAP1CA12CA1CA2
SCHEMBL20572945 0.93 FDPS (0.53) FDPSMETAP1CA12CA1CA2
SCHEMBL20572675 0.81 FDPS (0.43) FDPSMETAP1PDE3ALMNAADRB3
SCHEMBL20598485 0.81 FDPS (0.43) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL9243068 0.81 FDPS (0.43) FDPSMETAP1PDE3ALMNAADRB3
SCHEMBL10341381 0.81 FDPS (0.43) FDPSMETAP1MMP2MMP8PDE3A
SCHEMBL19193925 0.81 FDPS (0.43) FDPSMETAP1PDE3ALMNAADRB3
SCHEMBL10341429 0.81 FDPS (0.43) FDPSMETAP1PDE3ALMNAADRB3

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
US-10689408-B2 Bisphosphonic acid compound FUJIYAKUHIN CO., LTD. (JP) 2020-06-23 US disclosed
US-10689408-B2 Bisphosphonic acid compound FUJIYAKUHIN CO., LTD. (JP) 2020-06-23 US disclosed
US-20190002482-A1 NOVEL BISPHOSPHONIC ACID COMPOUND FUJIYAKUHIN CO., LTD. (JP) 2019-01-03 US disclosed
US-20190002482-A1 NOVEL BISPHOSPHONIC ACID COMPOUND FUJIYAKUHIN CO., LTD. (JP) 2019-01-03 US disclosed
EP-3409679-A1 NOVEL BISPHOSPHONIC ACID COMPOUND Fuji Yakuhin Co., Ltd. (JP) 2018-12-05 EP disclosed
US-20170164642-A1 Preservative System For Acidic Beverages Based On Sequestrants PEPSICO, INC. 2017-06-15 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 (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-10689408-B2 Bisphosphonic acid compound SOST, PTH1R, BMP2 FDPS 1185/4885METAP1 3512/4885CA12 394/4885
US-20190002482-A1 NOVEL BISPHOSPHONIC ACID COMPOUND SOST, PTH1R, BMP2 FDPS 1062/4885METAP1 3813/4885CA12 407/4885

“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.