SCHEMBL6040359

SCHEMBL6040359

CC1CCC1.NC(O)=S.NC(O)=S

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.37
NOS2 P35228 3/20 0.35
EPHX1 P07099 1/20 0.33
PHGDH O43175 2/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.31
CTSK P43235 1/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
FAAH O00519 1/20 0.31
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
Carbamic Acid SCHEMBL27856553 0.81
Carbamic Acid SCHEMBL28864494 0.79 EPHX1 (0.42) NOS2EPHX1TDP1CYP1A2NOS3
SCHEMBL2368 0.75
SCHEMBL19957485 0.75 NOS2 (0.37) MGLLNOS2CTSK
Bicarbonate SCHEMBL10617200 0.73
Propene SCHEMBL6040499 0.73
Cyclopropane SCHEMBL9026881 0.71
Hydrochloric Acid SCHEMBL1937438 0.71
Ammonia Solution, Strong SCHEMBL3799540 0.71
Cyclohexane SCHEMBL6972653 0.71 TSHR (0.46) TSHRALDH1A1

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-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2023-05-04 US disclosed
CN-115414480-A Dianhydrogalactitol in combination with radiation for treatment of non-small cell lung cancer and glioblastoma multiforme 德玛医药 2022-12-02 CN disclosed
CN-106659765-B Use of dianhydrogalactitol and analogs or derivatives thereof for treating non-small cell lung cancer and ovarian cancer 德玛医药 2021-08-13 CN disclosed
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-20 US disclosed
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS INC (CA) 2018-03-15 US disclosed
US-20160045502-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2016-02-18 US disclosed
US-7071158-B2 Antioxidant enhancement of therapy for hyperproliferative conditions ATHEROGENICS, INC. (US) 2006-07-04 US disclosed
US-20010049349-A1 Antioxidant enhancement of therapy for hyperproliferative conditions CRABTREE ACQUISITION CO, LLC 2001-12-06 US disclosed
EP-0433393-B1 TREATMENT OF DAMAGED BONE MARROW AND DOSAGE UNITS THEREFOR UNIV ROCHESTER (US) 1995-03-15 EP disclosed
EP-0433393-A4 TREATMENT OF DAMAGED BONE MARROW AND DOSAGE UNITS THEREFOR 1992-01-15 EP disclosed
US-5035878-A Reversing bone marrow damage resulting from chemotherapy UNIVERSITY OF ROCHESTER (US) 1991-07-30 US disclosed
EP-0433393-A1 TREATMENT OF DAMAGED BONE MARROW AND DOSAGE UNITS THEREFOR. UNIV ROCHESTER (US) 1991-06-26 EP disclosed
US-4938949-A Combatting side effects of anticancer drugs with dithiocarbamates UNIVERSITY OF NEW YORK (US) 1990-07-03 US disclosed
WO-1990002550-A1 TREATMENT OF DAMAGED BONE MARROW AND DOSAGE UNITS THEREFOR UNIVERSITY OF ROCHESTER (US) 1990-03-22 WO disclosed
US-4594238-A Administering platinum compound; then platimun binding compound REGENTS OF UNIVERSITY OF MINNESOTA (US) 1986-06-10 US disclosed
US-4581224-A ANTITUMOR, ANTRICARCINOGENIC AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1986-04-08 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 (4 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-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT MGLL 4219/4885NOS2 2834/4885EPHX1 1037/4885
US-20160045502-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT MGLL 4219/4885NOS2 2834/4885EPHX1 1037/4885
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 MGLL 2397/4885NOS2 3492/4885EPHX1 3224/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 MGLL 2397/4885NOS2 3492/4885EPHX1 3224/4885

“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.