SCHEMBL233680

SCHEMBL233680

O=P(O)(O)C(C(=S)Nc1ccccc1)P(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
ALDH1A1 P00352 6/20 0.48
TAS2R38 P59533 3/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 6/20 0.45
TP53 P04637 2/20 0.45
TSHR P16473 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NOX1 Q9Y5S8 1/20 0.45
TYR P14679 1/20 0.45
EPHX1 P07099 3/20 0.44
PHGDH O43175 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
EPHX2 P34913 1/20 0.43
CDK9 P50750 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
SCHEMBL9435834 0.81 KDM4E (0.46) CA9ALDH1A1GAANPC1RAB9A
SCHEMBL9811856 0.81 CA12 (0.53) CA12CYP3A4GAANPC1RAB9A
SCHEMBL9811859 0.81 CA12 (0.53) CA9CA12ALDH1A1GAANPC1
SCHEMBL9811848 0.80 SMN1; SMN2 (0.50) CA9CA12ALDH1A1HSD17B10CYP3A4
SCHEMBL9811845 0.80 MEN1 (0.53) ALDH1A1GAANPC1RAB9AKMT2A
SCHEMBL9811864 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10TP53TSHRRAB9A
SCHEMBL9811910 0.78 POLB (0.55) CA9CA12ALDH1A1HSD17B10GAA
SCHEMBL9811871 0.78 IDO1 (0.50) ALDH1A1GAATP53NPC1RAB9A
SCHEMBL9811870 0.78 CA12 (0.57) CA12NPC1RAB9AEPHX2
SCHEMBL9811865 0.76 KDM4E (0.48) CA9CA12ALDH1A1TSHRKMT2A

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 236 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207565-A1 USE OF BISPHOSPHONATES FOR PAIN TREATMENT NOVARTIS PHARMACEUTICALS CORPORATION 2008-08-28 US claimed
US-20060166937-A1 Bisphosphonates for the treatment of atherosclerosis and device comprising them PRESCOTT MARGARET F 2006-07-27 US claimed
JP-2006504749-A 2006-02-09 JP claimed
EP-1591122-A1 Method of administering bisphosphonates Novartis AG (CH) 2005-11-02 EP claimed
EP-1178810-B8 USE OF BISPHOSPHONIC ACIDS FOR TREATING ANGIOGENESIS NOVARTIS AG (CH) 2005-07-27 EP claimed
EP-1553957-A1 BISPHOSPHONATES FOR THE TREATMENT OF ATHEROSCLEROSIS AND DEVICES COMPRISING THEM Novartis AG (CH) 2005-07-20 EP claimed
EP-1178810-B1 USE OF BISPHOSPHONIC ACIDS FOR TREATING ANGIOGENESIS NOVARTIS AG (CH) 2005-04-20 EP claimed
EP-0854724-B1 METHOD OF TREATING THE NAVICULAR DISEASE IN HORSES NOVARTIS AG (CH) 2005-03-16 EP claimed
US-20040176327-A1 Use of bisphosphonic acids for treating angiogenesis NOVARTIS AG (CH) 2004-09-09 US claimed
US-20040157799-A1 Pharmaceutical uses of bisphosphonates SEAMAN JOHN J (US) 2004-08-12 US claimed
US-6057306-A ADMINISTERING BISPHOSPHONATES TO TREAT BONE DISEASE NOVARTIS CORPORATION (US) 2000-05-02 US claimed
US-5965547-A INHIBITING BONE RESORPTION, USE FOR JOINT REPLACEMENT, ESPECIALLY HIP REPLACEMENT IN MAN NOVARTIS CORPORATION (US) 1999-10-12 US claimed
EP-0854724-A1 METHOD OF TREATING THE NAVICULAR DISEASE IN HORSES Novartis AG (CH) 1998-07-29 EP claimed
WO-1997012619-A1 METHOD OF TREATING THE NAVICULAR DISEASE IN HORSES NOVARTIS AG (CH) 1997-04-10 WO claimed
EP-0758241-A1 USE OF CERTAIN METHANEBISPHOSPHONIC ACID DERIVATIVES TO PREVENT PROSTHESIS LOOSENING AND PROSTHESIS MIGRATION Novartis AG (CH) 1997-02-19 EP claimed
WO-1995030421-A1 USE OF CERTAIN METHANEBISPHOSPHONIC ACID DERIVATIVES TO PREVENT PROSTHESIS LOOSENING AND PROSTHESIS MIGRATION CIBA-GEIGY AG (CH) 1995-11-16 WO claimed
EP-0600834-A1 Use of methanebisphosphonic acid derivatives for the manufacture of a medicament for fracture healing CIBA-GEIGY AG (CH) 1994-06-08 EP claimed
EP-0243173-B1 NEW DIPHOSPHONIC ACID COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-06-26 EP claimed
US-4857513-A Diphosphonic acid compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISIWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US claimed
EP-0243173-A2 New diphosphonic acid compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-28 EP claimed

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-20080207565-A1 USE OF BISPHOSPHONATES FOR PAIN TREATMENT SOST, OPRL1, BPGM CA9 248/4885CA12 1036/4885ALDH1A1 2220/4885
US-20060166937-A1 Bisphosphonates for the treatment of atherosclerosis and device comprising them SOST, PTH1R, CASR CA9 238/4885CA12 371/4885ALDH1A1 3839/4885
US-20040157799-A1 Pharmaceutical uses of bisphosphonates ACP3, SOST, BPGM CA9 29/4885CA12 90/4885ALDH1A1 2835/4885

“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.