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Sugi Predict / Compounds / SCHEMBL5885170

SCHEMBL5885170

SCHEMBL5885170

CCOC(CP(=O)(OCC)OCC)([PH2]=O)N1CCN(Cc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HDAC4 P56524 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ LTA4H P09960 3/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ HIF1A Q16665 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
SCHEMBL5750132 0.80 SMN1; SMN2 (0.44) LMNASMN1; SMN2GAATHRBHDAC4
SCHEMBL5750123 0.78 HDAC1 (0.47) LMNASMN1; SMN2GAATHRBHDAC4
SCHEMBL5885167 0.78 LMNA (0.39) LMNASMN1; SMN2GAATHRBHDAC4
SCHEMBL5885150 0.73 SMN1; SMN2 (0.42) LMNASMN1; SMN2GAATHRBHDAC4
SCHEMBL5672923 0.73 GAA (0.48) LMNASMN1; SMN2GAATHRBHDAC4
SCHEMBL5666592 0.73 SMN1; SMN2 (0.44) LMNASMN1; SMN2GAATHRBHDAC4
SCHEMBL5885158 0.71 LMNA (0.41) LMNASMN1; SMN2GAATHRBHDAC4
SCHEMBL10074441 0.69 HDAC1 (0.62) LMNASMN1; SMN2GAATHRBHDAC4
SCHEMBL3013154 0.68 ALDH1A1 (0.61) LMNASMN1; SMN2GAATHRBHDAC4
SCHEMBL5739093 0.68 OPRD1 (0.42) OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132427-B2 Quinazolines and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2006-11-07 — — US disclosed
US-7019139-B2 Quinolinones and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2006-03-28 — — US disclosed
US-7009054-B2 Quinolines and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2006-03-07 — — US disclosed
US-6960572-B2 Indolinones and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2005-11-01 — — US disclosed
US-6878697-B2 Phenylamino-pyrimidines and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2005-04-12 — — US disclosed
US-20040242611-A1 NOVEL PHENYLAMINO-PYRIMIDINES AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-02 — — US disclosed
US-20040167101-A1 Novel quinolinones and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-26 — — US disclosed
US-20040152671-A1 Novel quinolines and uses thereof ARIAD PHARMACEUTICALS, INC. 2004-08-05 — — US disclosed
US-6713462-B2 ANTICANCER AGENTS; OSTEOPOROSIS; RHEUMATIC DISEASES ARIAD PHARMACEUTICALS, INC. 2004-03-30 — — US disclosed
US-6706699-B2 FOR THERAPY OF CANCER, OSTEOPOROSIS AND OTHER DISEASES INVOLVING UNTOWARD BONE RESORPTION E.G., PAGET'S DISEASE, PRIMARY AND SECONDARY HYPERPARATHYROIDISM, HUMORAL HYPERCALCEMIA OF MALIGNANCY ARIAD PHARMACEUTICALS, INC. 2004-03-16 — — US disclosed
US-20030130234-A1 Novel indolinones and uses thereof ARIAD PHARMACEUTICALS, INC. 2003-07-10 — — US disclosed
US-20030114486-A1 Novel quinolinones and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-06-19 — — US disclosed
US-20030105115-A1 Novel pyridopyrimidines and uses thereof ARIAD PHARMACEUTICALS, INC. 2003-06-05 — — US disclosed
US-20030105065-A1 Novel quinolines and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-06-05 — — US disclosed
US-20030100572-A1 Novel pyridopyrimidones and uses thereof ARIAD PHARMACEUTICALS,INC. 2003-05-29 — — US disclosed
US-20030100573-A1 Novel quinazolines and uses thereof ARIAD PHARMACEUTICALS, INC. 2003-05-29 — — 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 (9 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-20030105065-A1 Novel quinolines and uses thereof UQCRB, RECQL, QTRT2 LMNA 3055/4885SMN1; SMN2 2348/4885GAA 2131/4885
US-20040242611-A1 NOVEL PHENYLAMINO-PYRIMIDINES AND USES THEREOF DPYD, TYMP, DDX41 LMNA 3332/4885SMN1; SMN2 3421/4885GAA 2812/4885
US-20030100572-A1 Novel pyridopyrimidones and uses thereof UQCRB, RRM2B, CYP2B6 LMNA 2692/4885SMN1; SMN2 1784/4885GAA 3534/4885
US-20030105115-A1 Novel pyridopyrimidines and uses thereof DPYD, RRM2B, RRM2 LMNA 3430/4885SMN1; SMN2 1945/4885GAA 3369/4885
US-20030100573-A1 Novel quinazolines and uses thereof UQCRB, NQO2, RAB7A LMNA 3432/4885SMN1; SMN2 2538/4885GAA 1768/4885
US-20030114486-A1 Novel quinolinones and uses thereof UGT2B7, RAB7A, UQCRB LMNA 1948/4885SMN1; SMN2 3913/4885GAA 710/4885
US-20040152671-A1 Novel quinolines and uses thereof UQCRB, RECQL, QTRT2 LMNA 3055/4885SMN1; SMN2 2348/4885GAA 2131/4885
US-20030130234-A1 Novel indolinones and uses thereof RDX, UQCRB, DRD1 LMNA 2594/4885SMN1; SMN2 4278/4885GAA 3976/4885
US-20040167101-A1 Novel quinolinones and uses thereof UGT2B7, RAB7A, UQCRB LMNA 1948/4885SMN1; SMN2 3913/4885GAA 710/4885

“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.